2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide

C21H19N3O4S — CID 46644069

IUPAC2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C21H19N3O4S/c1-14-5-4-6-16(13-14)23-21(26)18-7-2-3-8-19(18)24-29(27,28)17-11-9-15(10-12-17)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26)
InChIKeyOTQZASWBAKQYQT-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.15
Rot. Bonds6

About 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide

2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide (PubChem CID 46644069) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
PubChem CID46644069
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C21H19N3O4S/c1-14-5-4-6-16(13-14)23-21(26)18-7-2-3-8-19(18)24-29(27,28)17-11-9-15(10-12-17)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26)
InChIKeyOTQZASWBAKQYQT-UHFFFAOYSA-N
XLogP3.15
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
CID 55499981
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
2-[(4-carbamoylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 18100692
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
2-[(2,3-difluorophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 60621514
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide (CID 46644069) is 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide?
The InChIKey is OTQZASWBAKQYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-14-5-4-6-16(13-14)23-21(26)18-7-2-3-8-19(18)24-29(27,28)17-11-9-15(10-12-17)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26).
What are the key properties of 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide?
2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide has a molecular weight of 409.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 46644069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).