2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide

C17H19FN2O4S — CID 2239694

IUPAC2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H19FN2O4S/c1-12-4-9-15(24-3)16(10-12)25(22,23)20(11-17(21)19-2)14-7-5-13(18)6-8-14/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyAVBLDGFIUWYXFS-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.08
Rot. Bonds6

About 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide

2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 2239694) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID2239694
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H19FN2O4S/c1-12-4-9-15(24-3)16(10-12)25(22,23)20(11-17(21)19-2)14-7-5-13(18)6-8-14/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyAVBLDGFIUWYXFS-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
2-(N-(2-Ethylphenyl)-4-methylphenylsulfonamido)-N-(4-methoxybenzyl)acetamide
CID 1009982
N-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2218015
N-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 7483019
N'-(3-fluoro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585167
(2S)-2-[[2-[4-(3-fluorophenyl)sulfonyl-2-oxopiperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 141759418
(2S)-2-[[2-[4-(2-fluorophenyl)sulfonyl-2-oxopiperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 141759421
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-(4-methoxy-benzyl)-acetamide
CID 645309
1-((4-methoxyphenyl)sulfonyl)-N-(p-tolyl)pyrrolidine-2-carboxamide
CID 651337
1-((2-Methoxy-5-methylphenyl)sulfonyl)-4-phenylpiperazine
CID 775526
4-[(4-Methoxybenzyl)amino]benzenesulfonamide
CID 834412

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide (CID 2239694) is 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is AVBLDGFIUWYXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12-4-9-15(24-3)16(10-12)25(22,23)20(11-17(21)19-2)14-7-5-13(18)6-8-14/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide?
2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 366.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 2239694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).