N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C19H30N2O4S — CID 96526786

IUPACN-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1
InChIInChI=1S/C19H30N2O4S/c1-14(2)21(4)26(24,25)16-10-8-15(9-11-16)18(23)20-13-19(3)12-6-5-7-17(19)22/h8-11,14,17,22H,5-7,12-13H2,1-4H3,(H,20,23)/t17-,19-/m0/s1
InChIKeyJARBOLCLMGYZGQ-HKUYNNGSSA-N
MW382.53 g/mol
LogP2.39
Rot. Bonds6

About N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 96526786) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID96526786
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1
InChIInChI=1S/C19H30N2O4S/c1-14(2)21(4)26(24,25)16-10-8-15(9-11-16)18(23)20-13-19(3)12-6-5-7-17(19)22/h8-11,14,17,22H,5-7,12-13H2,1-4H3,(H,20,23)/t17-,19-/m0/s1
InChIKeyJARBOLCLMGYZGQ-HKUYNNGSSA-N
XLogP2.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]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-(cycloheptylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119621364
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875
N-(2-amino-1-cyclohexylethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119591997
N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33076936
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287
4-cyclopentyloxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 55606378
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55869873
N-[(1-methylcyclopentyl)methyl]-4-sulfamoylbenzamide
CID 63821642
4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16572718
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110014889
4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
CID 100665401

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 96526786) is N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1.
What is the InChIKey of N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is JARBOLCLMGYZGQ-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-14(2)21(4)26(24,25)16-10-8-15(9-11-16)18(23)20-13-19(3)12-6-5-7-17(19)22/h8-11,14,17,22H,5-7,12-13H2,1-4H3,(H,20,23)/t17-,19-/m0/s1.
What are the key properties of N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 382.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 96526786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).