N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide

C18H20ClFN2O3S — CID 113054619

IUPACN-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Cl)c(C)c1)Cc1ccccc1F
InChIInChI=1S/C18H20ClFN2O3S/c1-13-11-16(7-8-17(13)19)26(24,25)21-9-10-22(14(2)23)12-15-5-3-4-6-18(15)20/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyKBIGBPMJKCEEQC-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.11
Rot. Bonds7

About N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide

N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113054619) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113054619
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Cl)c(C)c1)Cc1ccccc1F
InChIInChI=1S/C18H20ClFN2O3S/c1-13-11-16(7-8-17(13)19)26(24,25)21-9-10-22(14(2)23)12-15-5-3-4-6-18(15)20/h3-8,11,21H,9-10,12H2,1-2H3
InChIKeyKBIGBPMJKCEEQC-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide 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

N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054618
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113054180
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064567
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055717
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054992
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113054288
N-[(2-fluorophenyl)methyl]-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113054620
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide (CID 113054619) is N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(Cl)c(C)c1)Cc1ccccc1F.
What is the InChIKey of N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is KBIGBPMJKCEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-13-11-16(7-8-17(13)19)26(24,25)21-9-10-22(14(2)23)12-15-5-3-4-6-18(15)20/h3-8,11,21H,9-10,12H2,1-2H3.
What are the key properties of N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 398.89 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113054619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).