2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide

C20H25FN2O3S — CID 21372246

IUPAC2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-4-5-16(3)22-20(24)14-23(18-10-6-15(2)7-11-18)27(25,26)19-12-8-17(21)9-13-19/h6-13,16H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyZIHDQUSHJVCYHJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.63
Rot. Bonds8

About 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide (PubChem CID 21372246) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
PubChem CID21372246
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3S/c1-4-5-16(3)22-20(24)14-23(18-10-6-15(2)7-11-18)27(25,26)19-12-8-17(21)9-13-19/h6-13,16H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyZIHDQUSHJVCYHJ-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126415535
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
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
N-(2,4-dimethylpentan-3-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 51344897
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896673
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30227660
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217826

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide (CID 21372246) is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide?
The InChIKey is ZIHDQUSHJVCYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-4-5-16(3)22-20(24)14-23(18-10-6-15(2)7-11-18)27(25,26)19-12-8-17(21)9-13-19/h6-13,16H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide?
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide has a molecular weight of 392.50 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 21372246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).