N-(1-Methylethyl)-N-[2-(phenylsulfonyl)ethyl]-N'-[3-(1-piperidinyl)propyl]urea

HCID 20152828
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Basic information

Standard SMILES
CC(C)N(CCS(=O)(=O)c1ccccc1)C(=O)NCCCN1CCCCC1
InChIKey
LWLPVMUEHXQYSL-UHFFFAOYSA-N
Molecular formula
C20H33N3O3S
Average molar mass
395.6 g/mol

Names & identifiers

Preferred name
N-(1-Methylethyl)-N-[2-(phenylsulfonyl)ethyl]-N'-[3-(1-piperidinyl)propyl]urea
IUPAC
1-[2-(benzenesulfonyl)ethyl]-3-(3-piperidin-1-ylpropyl)-1-propan-2-ylurea

Names & synonyms

SCHEMBL10682394LWLPVMUEHXQYSL-UHFFFAOYSA-NN-(1-Methylethyl)-N-[2-(phenylsulfonyl)ethyl]-N'-[3-(1-piperidinyl)propyl]urea

Database identifiers

PubChem CID
20152828

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
78.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

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