2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide

C25H28N4O5S — CID 46522904

IUPAC2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C25H28N4O5S/c1-16-7-3-5-9-19(16)29-35(32,33)23-15-18(12-14-22(23)34-2)24(30)27-28-25(31)21-13-11-17-8-4-6-10-20(17)26-21/h4,6,8,10-16,19,29H,3,5,7,9H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYUGMGLXQHYAQAK-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.18
Rot. Bonds6

About 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide

2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 46522904) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID46522904
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C25H28N4O5S/c1-16-7-3-5-9-19(16)29-35(32,33)23-15-18(12-14-22(23)34-2)24(30)27-28-25(31)21-13-11-17-8-4-6-10-20(17)26-21/h4,6,8,10-16,19,29H,3,5,7,9H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYUGMGLXQHYAQAK-UHFFFAOYSA-N
XLogP3.18
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 16552462
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 43012308
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 46522904) is 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide is COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is YUGMGLXQHYAQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-16-7-3-5-9-19(16)29-35(32,33)23-15-18(12-14-22(23)34-2)24(30)27-28-25(31)21-13-11-17-8-4-6-10-20(17)26-21/h4,6,8,10-16,19,29H,3,5,7,9H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 496.59 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 46522904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).