N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

C24H25FN2O4S — CID 38518080

IUPACN-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C24H25FN2O4S/c1-18-16-22(12-13-23(18)25)32(29,30)26-21-10-8-20(9-11-21)24(28)27(14-15-31-2)17-19-6-4-3-5-7-19/h3-13,16,26H,14-15,17H2,1-2H3
InChIKeySBWGDPDHLVDODB-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.22
Rot. Bonds9

About N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 38518080) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
PubChem CID38518080
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC NameN-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C24H25FN2O4S/c1-18-16-22(12-13-23(18)25)32(29,30)26-21-10-8-20(9-11-21)24(28)27(14-15-31-2)17-19-6-4-3-5-7-19/h3-13,16,26H,14-15,17H2,1-2H3
InChIKeySBWGDPDHLVDODB-UHFFFAOYSA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 27826829
N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 43017329
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26979981
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 31236388
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 55370304

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (CID 38518080) is N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is COCCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is SBWGDPDHLVDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-18-16-22(12-13-23(18)25)32(29,30)26-21-10-8-20(9-11-21)24(28)27(14-15-31-2)17-19-6-4-3-5-7-19/h3-13,16,26H,14-15,17H2,1-2H3.
What are the key properties of N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 456.54 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 38518080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).