2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide

C23H23FN2O3S — CID 28635589

IUPAC2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H23FN2O3S/c1-17-12-18(2)14-21(13-17)26(30(28,29)22-6-4-3-5-7-22)16-23(27)25-15-19-8-10-20(24)11-9-19/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyYJSUMNIKEBEHPP-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.95
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 28635589) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID28635589
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H23FN2O3S/c1-17-12-18(2)14-21(13-17)26(30(28,29)22-6-4-3-5-7-22)16-23(27)25-15-19-8-10-20(24)11-9-19/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyYJSUMNIKEBEHPP-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 2873656
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 30176220
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 28631760
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1137711
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]-N-benzylbenzamide
CID 4619682
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272987
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
CID 126126356
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307001
N-[(4-fluorophenyl)methyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305775
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide (CID 28635589) is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(C)cc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YJSUMNIKEBEHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-17-12-18(2)14-21(13-17)26(30(28,29)22-6-4-3-5-7-22)16-23(27)25-15-19-8-10-20(24)11-9-19/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 426.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 28635589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).