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

C16H17FN2O4S — CID 2988323

IUPAC2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-11-3-8-14(23-2)15(9-11)24(21,22)19(10-16(18)20)13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyDTKPCHABVQKTEM-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.82
Rot. Bonds6

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

2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (PubChem CID 2988323) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
PubChem CID2988323
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-11-3-8-14(23-2)15(9-11)24(21,22)19(10-16(18)20)13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyDTKPCHABVQKTEM-UHFFFAOYSA-N
XLogP1.82
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667
N-cyclopentyl-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2243423
N-(2,3-dimethylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 5135255
N-(3-acetylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2238416
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetic acid
CID 1022049
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
4-[[2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126394467
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzenesulfonamide
CID 126390694
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 126394594

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (CID 2988323) is 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is DTKPCHABVQKTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11-3-8-14(23-2)15(9-11)24(21,22)19(10-16(18)20)13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H2,18,20).
What are the key properties of 2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.82, 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)acetamide is sourced from PubChem (CID 2988323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).