2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide

C17H19FN2O4S — CID 126346209

IUPAC2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide
SMILESCOc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O4S/c1-19(2)17(21)12-20(14-6-8-15(24-3)9-7-14)25(22,23)16-10-4-13(18)5-11-16/h4-11H,12H2,1-3H3
InChIKeyQBEOFQCWKDCXJJ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.12
Rot. Bonds6

About 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide

2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide (PubChem CID 126346209) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide
PubChem CID126346209
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide
SMILESCOc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O4S/c1-19(2)17(21)12-20(14-6-8-15(24-3)9-7-14)25(22,23)16-10-4-13(18)5-11-16/h4-11H,12H2,1-3H3
InChIKeyQBEOFQCWKDCXJJ-UHFFFAOYSA-N
XLogP2.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 3971622
4-fluoro-N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296664
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
CID 2230154
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280195
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126346344
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126415763
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
(2S)-2-[[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100687494
2-[[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132684840
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1334991

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide (CID 126346209) is 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide is COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide?
The InChIKey is QBEOFQCWKDCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-19(2)17(21)12-20(14-6-8-15(24-3)9-7-14)25(22,23)16-10-4-13(18)5-11-16/h4-11H,12H2,1-3H3.
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide?
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide has a molecular weight of 366.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 126346209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).