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

C21H26N2O4S — CID 9164421

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1
InChIInChI=1S/C21H26N2O4S/c1-15-8-3-4-11-18(15)22-21(24)16-9-7-10-17(14-16)28(25,26)23-19-12-5-6-13-20(19)27-2/h5-7,9-10,12-15,18,23H,3-4,8,11H2,1-2H3,(H,22,24)/t15-,18-/m1/s1
InChIKeyQYXHQGWKPKIMMX-CRAIPNDOSA-N
MW402.52 g/mol
LogP3.80
Rot. Bonds6

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

3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide (PubChem CID 9164421) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
PubChem CID9164421
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1
InChIInChI=1S/C21H26N2O4S/c1-15-8-3-4-11-18(15)22-21(24)16-9-7-10-17(14-16)28(25,26)23-19-12-5-6-13-20(19)27-2/h5-7,9-10,12-15,18,23H,3-4,8,11H2,1-2H3,(H,22,24)/t15-,18-/m1/s1
InChIKeyQYXHQGWKPKIMMX-CRAIPNDOSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435
N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164433
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
3-[methoxy(methyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9273168
3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 9060937
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 42992273
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide (CID 9164421) is 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is QYXHQGWKPKIMMX-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-8-3-4-11-18(15)22-21(24)16-9-7-10-17(14-16)28(25,26)23-19-12-5-6-13-20(19)27-2/h5-7,9-10,12-15,18,23H,3-4,8,11H2,1-2H3,(H,22,24)/t15-,18-/m1/s1.
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 9164421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).