2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide

C20H25FN2O4S — CID 126415763

IUPAC2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H25FN2O4S/c1-4-5-15(2)22-20(24)14-23(17-8-6-16(21)7-9-17)28(25,26)19-12-10-18(27-3)11-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyWLYIHCIFUGBXFG-HNNXBMFYSA-N
MW408.50 g/mol
LogP3.33
Rot. Bonds9

About 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 126415763) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide
PubChem CID126415763
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H25FN2O4S/c1-4-5-15(2)22-20(24)14-23(17-8-6-16(21)7-9-17)28(25,26)19-12-10-18(27-3)11-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyWLYIHCIFUGBXFG-HNNXBMFYSA-N
XLogP3.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126346344
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
CID 21372246
N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280195
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94020310
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46773052
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680076
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 92664046
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide (CID 126415763) is 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is WLYIHCIFUGBXFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-4-5-15(2)22-20(24)14-23(17-8-6-16(21)7-9-17)28(25,26)19-12-10-18(27-3)11-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide?
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 126415763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).