3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide

C16H18N2O3S2 — CID 32728448

IUPAC3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O3S2/c1-22-14-7-5-6-13(12-14)18-16(19)10-11-17-23(20,21)15-8-3-2-4-9-15/h2-9,12,17H,10-11H2,1H3,(H,18,19)
InChIKeyCWJFUNBCCPEBRD-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.72
Rot. Bonds7

About 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide

3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 32728448) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID32728448
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O3S2/c1-22-14-7-5-6-13(12-14)18-16(19)10-11-17-23(20,21)15-8-3-2-4-9-15/h2-9,12,17H,10-11H2,1H3,(H,18,19)
InChIKeyCWJFUNBCCPEBRD-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 46253982
3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 62831539
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189
6-(3-methylsulfanylanilino)-6-oxohexanoic acid
CID 43529412
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
S-[4-[3-(benzenesulfonamido)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56544803
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide (CID 32728448) is 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is CWJFUNBCCPEBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-22-14-7-5-6-13(12-14)18-16(19)10-11-17-23(20,21)15-8-3-2-4-9-15/h2-9,12,17H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide?
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 350.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 32728448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).