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

C22H21N3O4S — CID 22441702

IUPAC4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-6-8-17(9-7-15)21(26)25-30(28,29)20-12-10-18(11-13-20)23-22(27)24-19-5-3-4-16(2)14-19/h3-14H,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeySJXYEXRDYLVDFJ-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.07
Rot. Bonds5

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

4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide (PubChem CID 22441702) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
PubChem CID22441702
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-6-8-17(9-7-15)21(26)25-30(28,29)20-12-10-18(11-13-20)23-22(27)24-19-5-3-4-16(2)14-19/h3-14H,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeySJXYEXRDYLVDFJ-UHFFFAOYSA-N
XLogP4.07
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
3-methyl-N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide
CID 22921504
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phosphonic acid
CID 90890500
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
CID 38112845
1-(4-methylphenyl)sulfonyl-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 16734960
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide?
The IUPAC name of 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide (CID 22441702) is 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide is Cc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(C)c3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide?
The InChIKey is SJXYEXRDYLVDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-15-6-8-17(9-7-15)21(26)25-30(28,29)20-12-10-18(11-13-20)23-22(27)24-19-5-3-4-16(2)14-19/h3-14H,1-2H3,(H,25,26)(H2,23,24,27).
What are the key properties of 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide?
4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide has a molecular weight of 423.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide is sourced from PubChem (CID 22441702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).