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

C22H28N2O4S — CID 9164413

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-3-28-19-12-10-18(11-13-19)24-29(26,27)20-14-8-17(9-15-20)22(25)23-21-7-5-4-6-16(21)2/h8-16,21,24H,3-7H2,1-2H3,(H,23,25)/t16-,21-/m1/s1
InChIKeyMHWJDRAVZBUXSU-IIBYNOLFSA-N
MW416.54 g/mol
LogP4.19
Rot. Bonds7

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

4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide (PubChem CID 9164413) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
PubChem CID9164413
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-3-28-19-12-10-18(11-13-19)24-29(26,27)20-14-8-17(9-15-20)22(25)23-21-7-5-4-6-16(21)2/h8-16,21,24H,3-7H2,1-2H3,(H,23,25)/t16-,21-/m1/s1
InChIKeyMHWJDRAVZBUXSU-IIBYNOLFSA-N
XLogP4.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 18159331
N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8614526
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55854015
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide (CID 9164413) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is MHWJDRAVZBUXSU-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-28-19-12-10-18(11-13-19)24-29(26,27)20-14-8-17(9-15-20)22(25)23-21-7-5-4-6-16(21)2/h8-16,21,24H,3-7H2,1-2H3,(H,23,25)/t16-,21-/m1/s1.
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 9164413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).