4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide

C24H25N3O7S — CID 4835997

IUPAC4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1
InChIInChI=1S/C24H25N3O7S/c1-27(21-7-5-6-8-22(21)34-4)35(30,31)20-11-9-16(10-12-20)23(28)25-26-24(29)17-13-18(32-2)15-19(14-17)33-3/h5-15H,1-4H3,(H,25,28)(H,26,29)
InChIKeyCPFPWPUVMFCCHY-UHFFFAOYSA-N
MW499.55 g/mol
LogP2.61
Rot. Bonds8

About 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide

4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 4835997) has the molecular formula C24H25N3O7S and a molecular weight of 499.55 g/mol. Its IUPAC name is 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID4835997
Molecular FormulaC24H25N3O7S
Molecular Weight499.55 g/mol
Exact Mass499.14
IUPAC Name4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1
InChIInChI=1S/C24H25N3O7S/c1-27(21-7-5-6-8-22(21)34-4)35(30,31)20-11-9-16(10-12-20)23(28)25-26-24(29)17-13-18(32-2)15-19(14-17)33-3/h5-15H,1-4H3,(H,25,28)(H,26,29)
InChIKeyCPFPWPUVMFCCHY-UHFFFAOYSA-N
XLogP2.61
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3,5-dimethoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2116569
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 1547898
N-(4-{[(2,4-dimethoxyphenyl)amino]sulfonyl}phenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 2198525
4-(azepan-1-ylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide
CID 2526263
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 2672899
N-[4-(aminosulfonyl)phenyl]-2-(3,5-dimethoxybenzoyl)hydrazinecarbothioamide
CID 3572947
N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 16329419
N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-3,5-dimethoxybenzohydrazide
CID 5052428
N-(2,4-Dimethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 646184
N-(3-acetylphenyl)-2-[2,4-dimethoxy(phenylsulfonyl)anilino]acetamide
CID 1514458
2-[[4-(acetamidomethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2103240

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide (CID 4835997) is 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide is COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1.
What is the InChIKey of 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is CPFPWPUVMFCCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7S/c1-27(21-7-5-6-8-22(21)34-4)35(30,31)20-11-9-16(10-12-20)23(28)25-26-24(29)17-13-18(32-2)15-19(14-17)33-3/h5-15H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide?
4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 499.55 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 4835997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).