4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide

C25H22N4O4S — CID 30797973

IUPAC4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C25H22N4O4S/c1-16-6-5-8-19(14-16)29-34(32,33)20-12-10-17(2)21(15-20)24(30)27-28-25(31)23-13-11-18-7-3-4-9-22(18)26-23/h3-15,29H,1-2H3,(H,27,30)(H,28,31)
InChIKeyMNFYCCBNLVMNKS-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.73
Rot. Bonds5

About 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide

4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 30797973) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID30797973
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C25H22N4O4S/c1-16-6-5-8-19(14-16)29-34(32,33)20-12-10-17(2)21(15-20)24(30)27-28-25(31)23-13-11-18-7-3-4-9-22(18)26-23/h3-15,29H,1-2H3,(H,27,30)(H,28,31)
InChIKeyMNFYCCBNLVMNKS-UHFFFAOYSA-N
XLogP3.73
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide
CID 55376504
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
4-chloro-3-[[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamoyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24628589
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 30797973) is 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3ccc4ccccc4n3)c2)c1.
What is the InChIKey of 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is MNFYCCBNLVMNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-16-6-5-8-19(14-16)29-34(32,33)20-12-10-17(2)21(15-20)24(30)27-28-25(31)23-13-11-18-7-3-4-9-22(18)26-23/h3-15,29H,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide?
4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 474.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 30797973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).