N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C21H26N2O3S — CID 9164433

IUPACN-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-10-12-18(13-11-15)23-27(25,26)19-8-5-7-17(14-19)21(24)22-20-9-4-3-6-16(20)2/h5,7-8,10-14,16,20,23H,3-4,6,9H2,1-2H3,(H,22,24)/t16-,20-/m1/s1
InChIKeyIHXJFYDJQXAXPD-OXQOHEQNSA-N
MW386.52 g/mol
LogP4.10
Rot. Bonds5

About N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 9164433) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID9164433
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-10-12-18(13-11-15)23-27(25,26)19-8-5-7-17(14-19)21(24)22-20-9-4-3-6-16(20)2/h5,7-8,10-14,16,20,23H,3-4,6,9H2,1-2H3,(H,22,24)/t16-,20-/m1/s1
InChIKeyIHXJFYDJQXAXPD-OXQOHEQNSA-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,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164421
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[methoxy(methyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9273168
N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
CID 46605709

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 9164433) is N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCC[C@H]3C)c2)cc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is IHXJFYDJQXAXPD-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-10-12-18(13-11-15)23-27(25,26)19-8-5-7-17(14-19)21(24)22-20-9-4-3-6-16(20)2/h5,7-8,10-14,16,20,23H,3-4,6,9H2,1-2H3,(H,22,24)/t16-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-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-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9164433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).