1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea

C22H20N2O3S — CID 22750889

IUPAC1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NS(=O)(=O)C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-17-12-14-20(15-13-17)23-22(25)24-28(26,27)16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H2,23,24,25)
InChIKeyXADCVPJXZUFJOD-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.54
Rot. Bonds5

About 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea

1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea (PubChem CID 22750889) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea
PubChem CID22750889
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NS(=O)(=O)C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-17-12-14-20(15-13-17)23-22(25)24-28(26,27)16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H2,23,24,25)
InChIKeyXADCVPJXZUFJOD-UHFFFAOYSA-N
XLogP4.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea
CID 134347049
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
1-(4-methylphenyl)sulfonyl-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 16734960
1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea
CID 145128031
phenyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzenesulfonate
CID 22564943
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
N-(phenylcarbamoyl)sulfamoyl chloride
CID 22179270

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea (CID 22750889) is 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NS(=O)(=O)C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea?
The InChIKey is XADCVPJXZUFJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-17-12-14-20(15-13-17)23-22(25)24-28(26,27)16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H2,23,24,25).
What are the key properties of 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea?
1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea has a molecular weight of 392.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenylsulfonyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 22750889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).