2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide

C22H21FN2O5S — CID 1072216

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21FN2O5S/c1-29-16-12-13-21(30-2)20(14-16)25(31(27,28)17-8-4-3-5-9-17)15-22(26)24-19-11-7-6-10-18(19)23/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyFNUAGQWVYMSIKY-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.68
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide (PubChem CID 1072216) has the molecular formula C22H21FN2O5S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide
PubChem CID1072216
Molecular FormulaC22H21FN2O5S
Molecular Weight444.48 g/mol
Exact Mass444.12
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21FN2O5S/c1-29-16-12-13-21(30-2)20(14-16)25(31(27,28)17-8-4-3-5-9-17)15-22(26)24-19-11-7-6-10-18(19)23/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyFNUAGQWVYMSIKY-UHFFFAOYSA-N
XLogP3.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280003
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 1317158
N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1363111
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126187415
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126181214
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 999354
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 126278971
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-ethoxyphenyl)acetamide
CID 994355
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880310
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 2942722

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide (CID 1072216) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide?
The InChIKey is FNUAGQWVYMSIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S/c1-29-16-12-13-21(30-2)20(14-16)25(31(27,28)17-8-4-3-5-9-17)15-22(26)24-19-11-7-6-10-18(19)23/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide has a molecular weight of 444.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1072216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).