1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea

C15H15ClN2O2S — CID 2819847

IUPAC1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
SMILESCc1ccc(S(C)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-11-3-9-14(10-4-11)21(2,20)18-15(19)17-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H,17,19)
InChIKeyCGPUFKAXOCVLLX-UHFFFAOYSA-N
MW322.82 g/mol
LogP4.34
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea

1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea (PubChem CID 2819847) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
PubChem CID2819847
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
SMILESCc1ccc(S(C)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2S/c1-11-3-9-14(10-4-11)21(2,20)18-15(19)17-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H,17,19)
InChIKeyCGPUFKAXOCVLLX-UHFFFAOYSA-N
XLogP4.34
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10688715
1-(4-chlorophenyl)-3-[(4-methylphenyl)-oxo-(propan-2-ylamino)-λ6-sulfanylidene]urea
CID 10761364
1-[butylamino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10571795
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
1-[chloro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-3-(4-methoxyphenyl)urea
CID 10830894
1-[amino-(4-bromophenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10572384
(2,4-dichlorophenyl) N-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]carbamoyl]sulfamate
CID 2819934
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea (CID 2819847) is 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea is Cc1ccc(S(C)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
The InChIKey is CGPUFKAXOCVLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-11-3-9-14(10-4-11)21(2,20)18-15(19)17-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H,17,19).
What are the key properties of 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea?
1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea has a molecular weight of 322.82 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea is sourced from PubChem (CID 2819847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).