N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide

C21H26N2O3S — CID 42992273

IUPACN-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-7-3-5-9-19(15)22-21(24)17-11-13-18(14-12-17)27(25,26)23-20-10-6-4-8-16(20)2/h4,6,8,10-15,19,23H,3,5,7,9H2,1-2H3,(H,22,24)
InChIKeyOHJKNJZSBYMCGI-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.10
Rot. Bonds5

About N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide

N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 42992273) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID42992273
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-7-3-5-9-19(15)22-21(24)17-11-13-18(14-12-17)27(25,26)23-20-10-6-4-8-16(20)2/h4,6,8,10-15,19,23H,3,5,7,9H2,1-2H3,(H,22,24)
InChIKeyOHJKNJZSBYMCGI-UHFFFAOYSA-N
XLogP4.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119458614
N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 17467750
N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164421
N-(2-methylcyclohexyl)-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 4101718
N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide
CID 7371003

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide (CID 42992273) is N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CCCCC2C)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is OHJKNJZSBYMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-7-3-5-9-19(15)22-21(24)17-11-13-18(14-12-17)27(25,26)23-20-10-6-4-8-16(20)2/h4,6,8,10-15,19,23H,3,5,7,9H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide?
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 42992273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).