2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide

C16H17FN2O4S — CID 22305201

IUPAC2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNc2cccc(F)c2S(C)(=O)=O)c1
InChIInChI=1S/C16H17FN2O4S/c1-23-12-6-3-5-11(9-12)19-15(20)10-18-14-8-4-7-13(17)16(14)24(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyRIAKATZQNHOPHN-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.29
Rot. Bonds6

About 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide

2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide (PubChem CID 22305201) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
PubChem CID22305201
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNc2cccc(F)c2S(C)(=O)=O)c1
InChIInChI=1S/C16H17FN2O4S/c1-23-12-6-3-5-11(9-12)19-15(20)10-18-14-8-4-7-13(17)16(14)24(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyRIAKATZQNHOPHN-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-difluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 28574559
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide
CID 22305328
2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22307564
N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450
2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 22305356
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22304612
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide (CID 22305201) is 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNc2cccc(F)c2S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide?
The InChIKey is RIAKATZQNHOPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-12-6-3-5-11(9-12)19-15(20)10-18-14-8-4-7-13(17)16(14)24(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide?
2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 22305201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).