2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide

C24H24ClNO3S — CID 166322960

IUPAC2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide
SMILESCCCc1cccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClNO3S/c1-2-7-18-10-6-11-22(16-18)30(28,29)26-24(27)23(17-19-8-4-3-5-9-19)20-12-14-21(25)15-13-20/h3-6,8-16,23H,2,7,17H2,1H3,(H,26,27)
InChIKeyVTGRLVQJJXOSDF-UHFFFAOYSA-N
MW441.98 g/mol
LogP5.12
Rot. Bonds8

About 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide

2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide (PubChem CID 166322960) has the molecular formula C24H24ClNO3S and a molecular weight of 441.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide
PubChem CID166322960
Molecular FormulaC24H24ClNO3S
Molecular Weight441.98 g/mol
Exact Mass441.12
IUPAC Name2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide
SMILESCCCc1cccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClNO3S/c1-2-7-18-10-6-11-22(16-18)30(28,29)26-24(27)23(17-19-8-4-3-5-9-19)20-12-14-21(25)15-13-20/h3-6,8-16,23H,2,7,17H2,1H3,(H,26,27)
InChIKeyVTGRLVQJJXOSDF-UHFFFAOYSA-N
XLogP5.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.98
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110165955
2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide
CID 110354795
(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 129453548
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
CID 68510403
CID 68510403
2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide
CID 142054348
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
CID 110166005
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
dipotassium bis(4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propylphenyl)sulfonylamino]propyl]benzoate)
CID 158335141
2-[4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-[(4-propylphenyl)sulfonylamino]propyl]phenyl]benzoic acid
CID 160832583

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide (CID 166322960) is 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide is CCCc1cccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide?
The InChIKey is VTGRLVQJJXOSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3S/c1-2-7-18-10-6-11-22(16-18)30(28,29)26-24(27)23(17-19-8-4-3-5-9-19)20-12-14-21(25)15-13-20/h3-6,8-16,23H,2,7,17H2,1H3,(H,26,27).
What are the key properties of 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide?
2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide has a molecular weight of 441.98 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide is sourced from PubChem (CID 166322960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).