2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide

C29H28N2O3S — CID 1312791

IUPAC2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C29H28N2O3S/c1-21-13-16-25(17-14-21)35(33,34)31(28-18-15-22(2)19-23(28)3)20-29(32)30-27-12-8-7-11-26(27)24-9-5-4-6-10-24/h4-19H,20H2,1-3H3,(H,30,32)
InChIKeyOYFMRGBQUWNLOM-UHFFFAOYSA-N
MW484.62 g/mol
LogP6.11
Rot. Bonds7

About 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide (PubChem CID 1312791) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
PubChem CID1312791
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC Name2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C29H28N2O3S/c1-21-13-16-25(17-14-21)35(33,34)31(28-18-15-22(2)19-23(28)3)20-29(32)30-27-12-8-7-11-26(27)24-9-5-4-6-10-24/h4-19H,20H2,1-3H3,(H,30,32)
InChIKeyOYFMRGBQUWNLOM-UHFFFAOYSA-N
XLogP6.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
4-(4-Tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 991971
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
N-[4-(Diethylamino)phenyl]-2-{4-[4-(propan-2-YL)benzenesulfonyl]piperazin-1-YL}acetamide
CID 16034807
2-[N-(dimethylsulfamoyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 2231602
N-(2-Amino-phenyl)-3-[4-(toluene-4-sulfonylamino)-phenyl]-acrylamide
CID 9953205
N-(2-Amino-phenyl)-3-[4-(4-tert-butyl-benzenesulfonylamino)-phenyl]-acrylamide
CID 10204219
N-(2-Amino-phenyl)-3-[4-(biphenyl-4-sulfonylamino)-phenyl]-acrylamide
CID 10298829
2-[(4-tert-Butyl-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 10409682
N,N-Diethyl-2-[(4-ethyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 10475401

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide (CID 1312791) is 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2ccc(C)cc2C)cc1.
What is the InChIKey of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide?
The InChIKey is OYFMRGBQUWNLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-21-13-16-25(17-14-21)35(33,34)31(28-18-15-22(2)19-23(28)3)20-29(32)30-27-12-8-7-11-26(27)24-9-5-4-6-10-24/h4-19H,20H2,1-3H3,(H,30,32).
What are the key properties of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide?
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide has a molecular weight of 484.62 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 1312791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).