2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide

C27H24N2O4S — CID 30271434

IUPAC2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H24N2O4S/c1-34(31,32)29(25-18-10-11-19-26(25)33-22-14-6-3-7-15-22)20-27(30)28-24-17-9-8-16-23(24)21-12-4-2-5-13-21/h2-19H,20H2,1H3,(H,28,30)
InChIKeyOKHXDAJHOUEBNY-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.55
Rot. Bonds8

About 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide

2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide (PubChem CID 30271434) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
PubChem CID30271434
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC Name2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H24N2O4S/c1-34(31,32)29(25-18-10-11-19-26(25)33-22-14-6-3-7-15-22)20-27(30)28-24-17-9-8-16-23(24)21-12-4-2-5-13-21/h2-19H,20H2,1H3,(H,28,30)
InChIKeyOKHXDAJHOUEBNY-UHFFFAOYSA-N
XLogP5.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
CID 30276893
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312515
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 17201030
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30271957
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 100608249

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide (CID 30271434) is 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide?
The InChIKey is OKHXDAJHOUEBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-34(31,32)29(25-18-10-11-19-26(25)33-22-14-6-3-7-15-22)20-27(30)28-24-17-9-8-16-23(24)21-12-4-2-5-13-21/h2-19H,20H2,1H3,(H,28,30).
What are the key properties of 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide?
2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide has a molecular weight of 472.57 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 30271434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).