3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

C22H21N3O5S — CID 2572195

IUPAC3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H21N3O5S/c1-25(18-11-13-19(30-2)14-12-18)31(28,29)20-10-6-9-17(15-20)22(27)24-23-21(26)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,23,26)(H,24,27)
InChIKeyJEAZMTGPNHITBI-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.60
Rot. Bonds6

About 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 2572195) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID2572195
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H21N3O5S/c1-25(18-11-13-19(30-2)14-12-18)31(28,29)20-10-6-9-17(15-20)22(27)24-23-21(26)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,23,26)(H,24,27)
InChIKeyJEAZMTGPNHITBI-UHFFFAOYSA-N
XLogP2.60
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.60
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

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
N-(4-methoxyphenyl)-N-methyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 4841287
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide
CID 55461953
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2399081
N-(2,4-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2709362
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297

Frequently Asked Questions

What is the IUPAC name of 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (CID 2572195) is 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is JEAZMTGPNHITBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-25(18-11-13-19(30-2)14-12-18)31(28,29)20-10-6-9-17(15-20)22(27)24-23-21(26)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 439.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 2572195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).