N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide

C20H24N2O3S — CID 7478902

IUPACN-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-7-5-6-10-19(15)21-20(23)16-11-13-18(14-12-16)26(24,25)22-17-8-3-2-4-9-17/h2-4,8-9,11-15,19,22H,5-7,10H2,1H3,(H,21,23)/t15-,19-/m1/s1
InChIKeyHPUAIVNLGGTOOP-DNVCBOLYSA-N
MW372.49 g/mol
LogP3.80
Rot. Bonds5

About N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide

N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 7478902) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
PubChem CID7478902
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-7-5-6-10-19(15)21-20(23)16-11-13-18(14-12-16)26(24,25)22-17-8-3-2-4-9-17/h2-4,8-9,11-15,19,22H,5-7,10H2,1H3,(H,21,23)/t15-,19-/m1/s1
InChIKeyHPUAIVNLGGTOOP-DNVCBOLYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 42992273
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435
N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164433
cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677340
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide (CID 7478902) is N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide is C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is HPUAIVNLGGTOOP-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-7-5-6-10-19(15)21-20(23)16-11-13-18(14-12-16)26(24,25)22-17-8-3-2-4-9-17/h2-4,8-9,11-15,19,22H,5-7,10H2,1H3,(H,21,23)/t15-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide?
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 7478902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).