N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C23H22F2N2O4S — CID 42907074

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)c3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C23H22F2N2O4S/c1-15(21-12-7-17(24)14-22(21)25)26-23(28)16-5-4-6-20(13-16)32(29,30)27(2)18-8-10-19(31-3)11-9-18/h4-15H,1-3H3,(H,26,28)
InChIKeyCUEYUZWLNIXGKE-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.29
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 42907074) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID42907074
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)c3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C23H22F2N2O4S/c1-15(21-12-7-17(24)14-22(21)25)26-23(28)16-5-4-6-20(13-16)32(29,30)27(2)18-8-10-19(31-3)11-9-18/h4-15H,1-3H3,(H,26,28)
InChIKeyCUEYUZWLNIXGKE-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]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-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
N-[1-(2,4-difluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55337082
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 46415949
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 125043041
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 100610475
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 42907074) is N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)c3ccc(F)cc3F)c2)cc1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is CUEYUZWLNIXGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-15(21-12-7-17(24)14-22(21)25)26-23(28)16-5-4-6-20(13-16)32(29,30)27(2)18-8-10-19(31-3)11-9-18/h4-15H,1-3H3,(H,26,28).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 460.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 42907074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).