N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide

C17H18N2O4S — CID 17310102

IUPACN-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-13(20)18-14-7-9-15(10-8-14)19-17(21)11-12-24(22,23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyCWIIBZSPKOASFD-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.45
Rot. Bonds6

About N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide

N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide (PubChem CID 17310102) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
PubChem CID17310102
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-13(20)18-14-7-9-15(10-8-14)19-17(21)11-12-24(22,23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyCWIIBZSPKOASFD-UHFFFAOYSA-N
XLogP2.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
CID 17310101
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-(benzenesulfonyl)propanamide
CID 90551701
(2-anilino-2-oxoethyl) 3-(4-acetamidophenyl)sulfonylpropanoate
CID 9067779
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide (CID 17310102) is N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide is CC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide?
The InChIKey is CWIIBZSPKOASFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-13(20)18-14-7-9-15(10-8-14)19-17(21)11-12-24(22,23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide?
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide has a molecular weight of 346.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide is sourced from PubChem (CID 17310102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).