N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide

C21H19N3O4S — CID 22921487

IUPACN-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
SMILESCc1cccc(NC(=O)Nc2ccc(S(=O)(=O)NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H19N3O4S/c1-15-6-5-9-18(14-15)23-21(26)22-17-10-12-19(13-11-17)29(27,28)24-20(25)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,25)(H2,22,23,26)
InChIKeyBENNTQVCUQJAKV-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.76
Rot. Bonds5

About N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide

N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide (PubChem CID 22921487) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
PubChem CID22921487
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
SMILESCc1cccc(NC(=O)Nc2ccc(S(=O)(=O)NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H19N3O4S/c1-15-6-5-9-18(14-15)23-21(26)22-17-10-12-19(13-11-17)29(27,28)24-20(25)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,25)(H2,22,23,26)
InChIKeyBENNTQVCUQJAKV-UHFFFAOYSA-N
XLogP3.76
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22441702
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
3-methyl-N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide
CID 22921504
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369
N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
CID 38112845
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
CID 90959101
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide?
The IUPAC name of N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide (CID 22921487) is N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide?
The canonical SMILES for N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide is Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)NC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide?
The InChIKey is BENNTQVCUQJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-15-6-5-9-18(14-15)23-21(26)22-17-10-12-19(13-11-17)29(27,28)24-20(25)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide?
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide has a molecular weight of 409.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide is sourced from PubChem (CID 22921487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).