2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide

C22H21FN2O5S — CID 1000375

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H21FN2O5S/c1-29-18-12-13-20(21(14-18)30-2)24-22(26)15-25(17-10-8-16(23)9-11-17)31(27,28)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyYARTYELFOAVZLV-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.68
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 1000375) has the molecular formula C22H21FN2O5S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID1000375
Molecular FormulaC22H21FN2O5S
Molecular Weight444.48 g/mol
Exact Mass444.12
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H21FN2O5S/c1-29-18-12-13-20(21(14-18)30-2)24-22(26)15-25(17-10-8-16(23)9-11-17)31(27,28)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyYARTYELFOAVZLV-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-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-(2,4-Dimethoxyphenyl)-2-[N-(4-ethoxyphenyl)6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamido]acetamide
CID 20862124
N-{4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl}acetamide
CID 1118248
N-(2,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 3145297
N-[2,4-dimethoxy-5-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 57391458
N-(2,4-Dimethoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 656021
N~1~-(2-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 891785
N-(4-fluorophenyl)-2-[[(4-methoxyphenyl)sulfonyl](methyl)amino]acetamide
CID 982320
2-[4-methoxy(phenylsulfonyl)anilino]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 987587
2-[2-ethoxy(phenylsulfonyl)anilino]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 992811
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 997553
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1009787

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide (CID 1000375) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is YARTYELFOAVZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S/c1-29-18-12-13-20(21(14-18)30-2)24-22(26)15-25(17-10-8-16(23)9-11-17)31(27,28)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)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)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1000375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).