N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide

C28H25ClN2O3S — CID 4969682

IUPACN-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25ClN2O3S/c1-20-12-17-25(35(33,34)31-24-15-13-23(29)14-16-24)18-27(20)30-28(32)19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,26,31H,19H2,1H3,(H,30,32)
InChIKeyPWVBCSYITDATBF-UHFFFAOYSA-N
MW505.04 g/mol
LogP6.61
Rot. Bonds8

About N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide

N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide (PubChem CID 4969682) has the molecular formula C28H25ClN2O3S and a molecular weight of 505.04 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide
PubChem CID4969682
Molecular FormulaC28H25ClN2O3S
Molecular Weight505.04 g/mol
Exact Mass504.13
IUPAC NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25ClN2O3S/c1-20-12-17-25(35(33,34)31-24-15-13-23(29)14-16-24)18-27(20)30-28(32)19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,26,31H,19H2,1H3,(H,30,32)
InChIKeyPWVBCSYITDATBF-UHFFFAOYSA-N
XLogP6.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.04
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
CID 3358503
N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 29411176
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795375
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
CID 119950083
1-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 34064102
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide
CID 4546523
5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate
CID 5017065
3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
CID 42920159
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide (CID 4969682) is N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide?
The InChIKey is PWVBCSYITDATBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O3S/c1-20-12-17-25(35(33,34)31-24-15-13-23(29)14-16-24)18-27(20)30-28(32)19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,26,31H,19H2,1H3,(H,30,32).
What are the key properties of N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide?
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide has a molecular weight of 505.04 g/mol, XLogP of 6.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 4969682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).