N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide

C17H19N3O5S — CID 9224243

IUPACN-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C17H19N3O5S/c1-12-6-4-5-7-15(12)17(22)19-18-16(21)13-8-10-14(11-9-13)26(23,24)20(2)25-3/h4-11H,1-3H3,(H,18,21)(H,19,22)
InChIKeyBDGLIZCCZVMASO-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.25
Rot. Bonds5

About N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide

N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 9224243) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID9224243
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C17H19N3O5S/c1-12-6-4-5-7-15(12)17(22)19-18-16(21)13-8-10-14(11-9-13)26(23,24)20(2)25-3/h4-11H,1-3H3,(H,18,21)(H,19,22)
InChIKeyBDGLIZCCZVMASO-UHFFFAOYSA-N
XLogP1.25
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451
1-tert-butyl-3-[[4-[methoxy(methyl)sulfamoyl]benzoyl]amino]thiourea
CID 9425920
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2,4-dimethylbenzamide
CID 60601161
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9205648
N-[2-(difluoromethylsulfonyl)phenyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55406097

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide (CID 9224243) is N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide is CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is BDGLIZCCZVMASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12-6-4-5-7-15(12)17(22)19-18-16(21)13-8-10-14(11-9-13)26(23,24)20(2)25-3/h4-11H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide?
N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 9224243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).