2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide

C29H27FN2O3S — CID 122381450

IUPAC2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C(c2ccc(F)cc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H27FN2O3S/c1-21-9-19-27(20-10-21)36(34,35)32(26-7-5-4-6-8-26)29(33)28(22-11-15-24(30)16-12-22)23-13-17-25(18-14-23)31(2)3/h4-20,28H,1-3H3
InChIKeyOFENCCIJHYZHBU-UHFFFAOYSA-N
MW502.61 g/mol
LogP5.75
Rot. Bonds7

About 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide

2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide (PubChem CID 122381450) has the molecular formula C29H27FN2O3S and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
PubChem CID122381450
Molecular FormulaC29H27FN2O3S
Molecular Weight502.61 g/mol
Exact Mass502.17
IUPAC Name2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C(c2ccc(F)cc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H27FN2O3S/c1-21-9-19-27(20-10-21)36(34,35)32(26-7-5-4-6-8-26)29(33)28(22-11-15-24(30)16-12-22)23-13-17-25(18-14-23)31(2)3/h4-20,28H,1-3H3
InChIKeyOFENCCIJHYZHBU-UHFFFAOYSA-N
XLogP5.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
CID 19210740
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
CID 19210572
N-(4-methylphenyl)sulfonyl-N-phenylfuran-2-carboxamide
CID 19210436
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
ditert-butyl 2-[[[4-(dimethylamino)phenyl]-phenylmethyl]-(4-methylphenyl)sulfonylamino]propanedioate
CID 154722984
(2S)-N-(4-methylphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 131711845
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide
CID 46770565
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide
CID 19219434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide (CID 122381450) is 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide is Cc1ccc(S(=O)(=O)N(C(=O)C(c2ccc(F)cc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide?
The InChIKey is OFENCCIJHYZHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O3S/c1-21-9-19-27(20-10-21)36(34,35)32(26-7-5-4-6-8-26)29(33)28(22-11-15-24(30)16-12-22)23-13-17-25(18-14-23)31(2)3/h4-20,28H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide?
2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide has a molecular weight of 502.61 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide is sourced from PubChem (CID 122381450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).