2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide

C24H25ClN2O3S — CID 3877256

IUPAC2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C24H25ClN2O3S/c1-16-13-17(2)23(18(3)14-16)26-24(28)22(15-19-7-5-4-6-8-19)27-31(29,30)21-11-9-20(25)10-12-21/h4-14,22,27H,15H2,1-3H3,(H,26,28)
InChIKeyCQOWSAVNVDRZBI-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.79
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide

2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 3877256) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID3877256
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C24H25ClN2O3S/c1-16-13-17(2)23(18(3)14-16)26-24(28)22(15-19-7-5-4-6-8-19)27-31(29,30)21-11-9-20(25)10-12-21/h4-14,22,27H,15H2,1-3H3,(H,26,28)
InChIKeyCQOWSAVNVDRZBI-UHFFFAOYSA-N
XLogP4.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 41374212
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
(2R)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537449
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide
CID 41374437
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylpropanamide
CID 74170909
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
(2R)-N-(3-chloro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208439
3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide
CID 46361165
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 41382148
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide (CID 3877256) is 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is CQOWSAVNVDRZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-16-13-17(2)23(18(3)14-16)26-24(28)22(15-19-7-5-4-6-8-19)27-31(29,30)21-11-9-20(25)10-12-21/h4-14,22,27H,15H2,1-3H3,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide?
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 457.00 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 3877256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).