2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

C16H18N2O3S — CID 3690831

IUPAC2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-7-9-14(10-8-12)22(20,21)18-15(16(17)19)11-13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H2,17,19)
InChIKeyOZRBXXXXHHQBCE-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.37
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 3690831) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID3690831
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-7-9-14(10-8-12)22(20,21)18-15(16(17)19)11-13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H2,17,19)
InChIKeyOZRBXXXXHHQBCE-UHFFFAOYSA-N
XLogP1.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenyl)sulfonylamino]-3-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-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide
CID 172561352
(2R)-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 67588376
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 142225285
2-chloroacetaldehyde;(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 87106127
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
3-methylbut-2-enyl 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 10715259
[(3R)-4-methylpent-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 76764403
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 41374212
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 3690831) is 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(N)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is OZRBXXXXHHQBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-7-9-14(10-8-12)22(20,21)18-15(16(17)19)11-13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H2,17,19).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 3690831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).