N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide

C24H25ClFN3O3S — CID 4879270

IUPACN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C24H25ClFN3O3S/c1-3-29(20-10-5-4-6-11-20)33(31,32)21-12-13-22(25)23(15-21)27-24(30)17-28(2)16-18-8-7-9-19(26)14-18/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyTXRONGFCOQJMCS-UHFFFAOYSA-N
MW490.00 g/mol
LogP4.76
Rot. Bonds9

About N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 4879270) has the molecular formula C24H25ClFN3O3S and a molecular weight of 490.00 g/mol. Its IUPAC name is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
PubChem CID4879270
Molecular FormulaC24H25ClFN3O3S
Molecular Weight490.00 g/mol
Exact Mass489.13
IUPAC NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C24H25ClFN3O3S/c1-3-29(20-10-5-4-6-11-20)33(31,32)21-12-13-22(25)23(15-21)27-24(30)17-28(2)16-18-8-7-9-19(26)14-18/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyTXRONGFCOQJMCS-UHFFFAOYSA-N
XLogP4.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide (CID 4879270) is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)Cc2cccc(F)c2)c1.
What is the InChIKey of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is TXRONGFCOQJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O3S/c1-3-29(20-10-5-4-6-11-20)33(31,32)21-12-13-22(25)23(15-21)27-24(30)17-28(2)16-18-8-7-9-19(26)14-18/h4-15H,3,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 490.00 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 4879270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).