2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide

C21H20N2O3S2 — CID 22776010

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O3S2/c1-16(21(24)22-17-8-4-2-5-9-17)27-19-14-12-18(13-15-19)23-28(25,26)20-10-6-3-7-11-20/h2-16,23H,1H3,(H,22,24)
InChIKeyNNEOMMYEWAKCBY-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.61
Rot. Bonds7

About 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide (PubChem CID 22776010) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
PubChem CID22776010
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O3S2/c1-16(21(24)22-17-8-4-2-5-9-17)27-19-14-12-18(13-15-19)23-28(25,26)20-10-6-3-7-11-20/h2-16,23H,1H3,(H,22,24)
InChIKeyNNEOMMYEWAKCBY-UHFFFAOYSA-N
XLogP4.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 23095708
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 132673976
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23098353
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 22781714
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 126184839
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
(2S)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 126187597
2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 43908489

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide (CID 22776010) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide is CC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide?
The InChIKey is NNEOMMYEWAKCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-16(21(24)22-17-8-4-2-5-9-17)27-19-14-12-18(13-15-19)23-28(25,26)20-10-6-3-7-11-20/h2-16,23H,1H3,(H,22,24).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide has a molecular weight of 412.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 22776010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).