N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H23FN2O5S — CID 1363111

IUPACN-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H23FN2O5S/c1-16-8-11-18(12-9-16)32(28,29)26(21-7-5-4-6-19(21)24)15-23(27)25-20-14-17(30-2)10-13-22(20)31-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyKGUFJEFJFHCQCN-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.99
Rot. Bonds8

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

N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1363111) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1363111
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H23FN2O5S/c1-16-8-11-18(12-9-16)32(28,29)26(21-7-5-4-6-19(21)24)15-23(27)25-20-14-17(30-2)10-13-22(20)31-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyKGUFJEFJFHCQCN-UHFFFAOYSA-N
XLogP3.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1204013
N-(2,5-dimethoxyphenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1293361
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880310
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43901440
N-(2-fluorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280003
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46770541
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide
CID 1072216
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 5167915

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1363111) is N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(OC)c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is KGUFJEFJFHCQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-16-8-11-18(12-9-16)32(28,29)26(21-7-5-4-6-19(21)24)15-23(27)25-20-14-17(30-2)10-13-22(20)31-3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 458.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1363111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).