1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea

C15H18N2O3S — CID 145128031

IUPAC1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NS(O)(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-3-7-13(8-4-11)16-15(18)17-21(19,20)14-9-5-12(2)6-10-14/h3-10,19-20H,1-2H3,(H2,16,17,18)
InChIKeyJGBNHDNLMYXZQV-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.15
Rot. Bonds3

About 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea

1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea (PubChem CID 145128031) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea
PubChem CID145128031
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NS(O)(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-3-7-13(8-4-11)16-15(18)17-21(19,20)14-9-5-12(2)6-10-14/h3-10,19-20H,1-2H3,(H2,16,17,18)
InChIKeyJGBNHDNLMYXZQV-UHFFFAOYSA-N
XLogP4.15
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]urea
CID 134347049
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
CID 69350721
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]carbamoylamino]phenyl] 4-methylbenzenesulfonate
CID 142536793
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386

Frequently Asked Questions

What is the IUPAC name of 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea (CID 145128031) is 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NS(O)(O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea?
The InChIKey is JGBNHDNLMYXZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-3-7-13(8-4-11)16-15(18)17-21(19,20)14-9-5-12(2)6-10-14/h3-10,19-20H,1-2H3,(H2,16,17,18).
What are the key properties of 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea?
1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea has a molecular weight of 306.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 145128031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).