2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide

C27H23FN2O4S — CID 2565728

IUPAC2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C27H23FN2O4S/c1-34-26-14-8-7-13-25(26)30(35(32,33)22-17-15-21(28)16-18-22)19-27(31)29-24-12-6-5-11-23(24)20-9-3-2-4-10-20/h2-18H,19H2,1H3,(H,29,31)
InChIKeyXWTVQEVSDCLQDW-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.34
Rot. Bonds8

About 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide

2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide (PubChem CID 2565728) has the molecular formula C27H23FN2O4S and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
PubChem CID2565728
Molecular FormulaC27H23FN2O4S
Molecular Weight490.56 g/mol
Exact Mass490.14
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C27H23FN2O4S/c1-34-26-14-8-7-13-25(26)30(35(32,33)22-17-15-21(28)16-18-22)19-27(31)29-24-12-6-5-11-23(24)20-9-3-2-4-10-20/h2-18H,19H2,1H3,(H,29,31)
InChIKeyXWTVQEVSDCLQDW-UHFFFAOYSA-N
XLogP5.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-phenylphenyl)acetamide
CID 1314109
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126187415
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126120164
N-(2-chloro-4-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 52891332
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(2-phenylphenyl)acetamide
CID 1265574
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 53280467
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-phenylphenyl)acetamide
CID 126123999
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033443
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(3,4-difluorophenyl)acetamide
CID 3360901
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126130122

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide (CID 2565728) is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide is COc1ccccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide?
The InChIKey is XWTVQEVSDCLQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O4S/c1-34-26-14-8-7-13-25(26)30(35(32,33)22-17-15-21(28)16-18-22)19-27(31)29-24-12-6-5-11-23(24)20-9-3-2-4-10-20/h2-18H,19H2,1H3,(H,29,31).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide?
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide has a molecular weight of 490.56 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2565728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).