N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide

C21H19N3O4S — CID 3293465

IUPACN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3O4S/c1-15-7-13-19(14-8-15)29(27,28)24-23-21(26)17-9-11-18(12-10-17)22-20(25)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,22,25)(H,23,26)
InChIKeyLUXACIZAHUMDSJ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.87
Rot. Bonds6

About N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide

N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide (PubChem CID 3293465) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
PubChem CID3293465
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3O4S/c1-15-7-13-19(14-8-15)29(27,28)24-23-21(26)17-9-11-18(12-10-17)22-20(25)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,22,25)(H,23,26)
InChIKeyLUXACIZAHUMDSJ-UHFFFAOYSA-N
XLogP2.87
TPSA104.37 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 ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]sulfamoyl]phenyl]benzamide
CID 171980397
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
2-[[4-[(4-methylbenzoyl)amino]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 22456318
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide (CID 3293465) is N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide is Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide?
The InChIKey is LUXACIZAHUMDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-15-7-13-19(14-8-15)29(27,28)24-23-21(26)17-9-11-18(12-10-17)22-20(25)16-5-3-2-4-6-16/h2-14,24H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide?
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide has a molecular weight of 409.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3293465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).