N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C18H21ClN2O3S — CID 27838680

IUPACN-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)cc(C)c1C
InChIInChI=1S/C18H21ClN2O3S/c1-12-9-15(11-17(13(12)2)25(23,24)20-3)18(22)21-8-7-14-5-4-6-16(19)10-14/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22)
InChIKeyCWCJUFJPAIDQHD-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 27838680) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID27838680
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)cc(C)c1C
InChIInChI=1S/C18H21ClN2O3S/c1-12-9-15(11-17(13(12)2)25(23,24)20-3)18(22)21-8-7-14-5-4-6-16(19)10-14/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22)
InChIKeyCWCJUFJPAIDQHD-UHFFFAOYSA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(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

N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 41365156
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea
CID 86987908
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
CID 39730732

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 27838680) is N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)cc(C)c1C.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is CWCJUFJPAIDQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12-9-15(11-17(13(12)2)25(23,24)20-3)18(22)21-8-7-14-5-4-6-16(19)10-14/h4-6,9-11,20H,7-8H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 27838680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).