3-(4-methoxybenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine

HCID 28337440

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C(=O)c2c(N)sc3c2CCC3)cc1
InChIKey: MRUYXPQRFQGHEO-UHFFFAOYSA-N
Molecular formula: C15H15NO2S
Average molar mass: 273.4 g/mol
Monoisotopic mass: 273.08234989

Names & identifiers

Preferred name: 3-(4-methoxybenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine
IUPAC: (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methoxyphenyl)methanone

Names & synonyms

3-(4-methoxybenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine56416-46-7(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methoxyphenyl)methanoneCHEMBL58471SCHEMBL134640MRUYXPQRFQGHEO-UHFFFAOYSA-NEN300-127880G49600(2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methoxy-phenyl)-methanone

Database identifiers

PubChem CID: 28337440
ChEMBL: CHEMBL58471
Nikkaji: J1.385.106I

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 341

Related reactions

2 records

New reaction record

HRID 133501As reactantuspto-grants-2008_06

HRID 133533As reactantuspto-grants-2008_06

Compound notes

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