N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C17H19FN2O5S — CID 3139067

IUPACN-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19FN2O5S/c1-24-14-8-9-16(25-2)15(10-14)19-17(21)11-20(26(3,22)23)13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyZBXWIIAGVCCEAT-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.25
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 3139067) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID3139067
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19FN2O5S/c1-24-14-8-9-16(25-2)15(10-14)19-17(21)11-20(26(3,22)23)13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyZBXWIIAGVCCEAT-UHFFFAOYSA-N
XLogP2.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998394
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2282293
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
N-(2,4-dimethoxyphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126385845
N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1290557
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92676515
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1338618
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891028
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 3139067) is N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is COc1ccc(OC)c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is ZBXWIIAGVCCEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-24-14-8-9-16(25-2)15(10-14)19-17(21)11-20(26(3,22)23)13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 382.41 g/mol, XLogP of 2.25, 7 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-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3139067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).