4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide

C22H27N3O6S — CID 43012308

IUPAC4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C22H27N3O6S/c1-14-7-4-5-8-17(14)24-32(29,30)21-13-16(11-12-20(21)31-3)22(26)23-18-9-6-10-19(15(18)2)25(27)28/h6,9-14,17,24H,4-5,7-8H2,1-3H3,(H,23,26)
InChIKeyQALQJJQOLVYKEH-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.02
Rot. Bonds7

About 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide

4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 43012308) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID43012308
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C22H27N3O6S/c1-14-7-4-5-8-17(14)24-32(29,30)21-13-16(11-12-20(21)31-3)22(26)23-18-9-6-10-19(15(18)2)25(27)28/h6,9-14,17,24H,4-5,7-8H2,1-3H3,(H,23,26)
InChIKeyQALQJJQOLVYKEH-UHFFFAOYSA-N
XLogP4.02
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 16552462
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
3-bromo-4-methoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 3261815

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide (CID 43012308) is 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is QALQJJQOLVYKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-14-7-4-5-8-17(14)24-32(29,30)21-13-16(11-12-20(21)31-3)22(26)23-18-9-6-10-19(15(18)2)25(27)28/h6,9-14,17,24H,4-5,7-8H2,1-3H3,(H,23,26).
What are the key properties of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide?
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 461.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 43012308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).