2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide

C23H22FN3O5S — CID 24642606

IUPAC2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccccc2F)ccc1C
InChIInChI=1S/C23H22FN3O5S/c1-15-11-12-16(26-22(28)14-25-23(29)17-7-3-4-8-18(17)24)13-21(15)33(30,31)27-19-9-5-6-10-20(19)32-2/h3-13,27H,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFGJHAKGCWIPYQD-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.31
Rot. Bonds8

About 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide (PubChem CID 24642606) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
PubChem CID24642606
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccccc2F)ccc1C
InChIInChI=1S/C23H22FN3O5S/c1-15-11-12-16(26-22(28)14-25-23(29)17-7-3-4-8-18(17)24)13-21(15)33(30,31)27-19-9-5-6-10-20(19)32-2/h3-13,27H,14H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFGJHAKGCWIPYQD-UHFFFAOYSA-N
XLogP3.31
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642566
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 24642708
N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39754906
3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 4148036
1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 42992972
N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4876435
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
2-amino-5-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-nitrobenzamide
CID 55974376

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide (CID 24642606) is 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccccc2F)ccc1C.
What is the InChIKey of 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide?
The InChIKey is FGJHAKGCWIPYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c1-15-11-12-16(26-22(28)14-25-23(29)17-7-3-4-8-18(17)24)13-21(15)33(30,31)27-19-9-5-6-10-20(19)32-2/h3-13,27H,14H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24642606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).