2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide

C20H25ClN2O3S — CID 55511325

IUPAC2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide
SMILESCCc1ccc(C(NC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)C(C)C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-5-14-6-8-15(9-7-14)19(13(2)3)23-20(24)17-12-16(10-11-18(17)21)27(25,26)22-4/h6-13,19,22H,5H2,1-4H3,(H,23,24)
InChIKeyCCWISUFZVGPCHG-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.94
Rot. Bonds7

About 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide

2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide (PubChem CID 55511325) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide
PubChem CID55511325
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide
SMILESCCc1ccc(C(NC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)C(C)C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-5-14-6-8-15(9-7-14)19(13(2)3)23-20(24)17-12-16(10-11-18(17)21)27(25,26)22-4/h6-13,19,22H,5H2,1-4H3,(H,23,24)
InChIKeyCCWISUFZVGPCHG-UHFFFAOYSA-N
XLogP3.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-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

5-(azepan-1-ylsulfonyl)-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133162556
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 42919490
2-chloro-N-[1-(4-ethylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 133209970
2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide
CID 16563664
2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
1-[[2-chloro-5-(methylsulfamoyl)benzoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477944
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide (CID 55511325) is 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide is CCc1ccc(C(NC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)C(C)C)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is CCWISUFZVGPCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-5-14-6-8-15(9-7-14)19(13(2)3)23-20(24)17-12-16(10-11-18(17)21)27(25,26)22-4/h6-13,19,22H,5H2,1-4H3,(H,23,24).
What are the key properties of 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide?
2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 408.95 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-ethylphenyl)-2-methylpropyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55511325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).