N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide

C20H24N4O4S — CID 7371003

IUPACN-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H24N4O4S/c1-14-4-2-3-5-18(14)22-19(25)15-6-8-17(9-7-15)29(27,28)24-23-20(26)16-10-12-21-13-11-16/h6-14,18,24H,2-5H2,1H3,(H,22,25)(H,23,26)/t14-,18+/m0/s1
InChIKeyMUDPVQXQYDFFAQ-KBXCAEBGSA-N
MW416.50 g/mol
LogP2.01
Rot. Bonds6

About N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide

N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide (PubChem CID 7371003) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide
PubChem CID7371003
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H24N4O4S/c1-14-4-2-3-5-18(14)22-19(25)15-6-8-17(9-7-15)29(27,28)24-23-20(26)16-10-12-21-13-11-16/h6-14,18,24H,2-5H2,1H3,(H,22,25)(H,23,26)/t14-,18+/m0/s1
InChIKeyMUDPVQXQYDFFAQ-KBXCAEBGSA-N
XLogP2.01
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)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-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 42992273
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428510
N-[(1R,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428507
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 15997384

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide (CID 7371003) is N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide is C[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide?
The InChIKey is MUDPVQXQYDFFAQ-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-14-4-2-3-5-18(14)22-19(25)15-6-8-17(9-7-15)29(27,28)24-23-20(26)16-10-12-21-13-11-16/h6-14,18,24H,2-5H2,1H3,(H,22,25)(H,23,26)/t14-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide?
N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide has a molecular weight of 416.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide is sourced from PubChem (CID 7371003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).