Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-methyl-5-((methylsulfonyl)amino)-

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Basic information

CAS: 68256-07-5
Standard SMILES: CCN1CCCC1CNC(=O)c1cc(NS(C)(=O)=O)c(C)cc1OC
InChIKey: YTRPYXNQCLTHGY-UHFFFAOYSA-N
Molecular formula: C17H27N3O4S
Average molar mass: 369.5 g/mol
Monoisotopic mass: 369.17222752

Names & identifiers

Preferred name: Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-methyl-5-((methylsulfonyl)amino)-
IUPAC: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide

Names & synonyms

68256-07-5BRN 0447913Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-methyl-5-((methylsulfonyl)amino)-N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-methyl-5-methanesulfonamidobenzamideRefChem:322018N-((1-Ethylpyrrolidin-2-yl)methyl)-2-methoxy-4-methyl-5-(methylsulfonamido)benzamideCHEMBL14479SCHEMBL11079730DTXSID10987777YTRPYXNQCLTHGY-UHFFFAOYSA-NN-(1-ethyl-2-pyrrolidinylmethyl)-2-methoxy-4-methyl-5-methanesulfonamidobenzamideN-[(1-Ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzene-1-carboximidic acid

Show more names

N-[(1-Ethylpyrrolidin-2-yl)methyl]-5-[(methanesulfonyl)amino]-2-methoxy-4-methylbenzene-1-carboximidic acid

Database identifiers

CAS: 68256-07-5
PubChem CID: 50115
DTXSID: DTXSID10987777
ChEMBL: CHEMBL14479

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 96.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 549

Related reactions

7 records

New reaction record

HRID 1065042As reactantuspto-grants-1982_05

HRID 1065153As reactantuspto-grants-1982_05

HRID 1065620As reactantuspto-grants-1982_05

HRID 1388365As reactantuspto-grants-1984_02

HRID 1702944As reactantuspto-grants-1982_09

HRID 1703159As reactantuspto-grants-1982_09

HRID 2313173As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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