1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea

C18H15ClN2OS — CID 155436641

IUPAC1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea
SMILESCc1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C18H15ClN2OS/c1-12-3-2-4-13(11-12)16-9-10-17(23-16)21-18(22)20-15-7-5-14(19)6-8-15/h2-11H,1H3,(H2,20,21,22)
InChIKeyOJVGDXINQGCGOW-UHFFFAOYSA-N
MW342.85 g/mol
LogP6.02
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea

1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea (PubChem CID 155436641) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea
PubChem CID155436641
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea
SMILESCc1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C18H15ClN2OS/c1-12-3-2-4-13(11-12)16-9-10-17(23-16)21-18(22)20-15-7-5-14(19)6-8-15/h2-11H,1H3,(H2,20,21,22)
InChIKeyOJVGDXINQGCGOW-UHFFFAOYSA-N
XLogP6.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea (CID 155436641) is 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea is Cc1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea?
The InChIKey is OJVGDXINQGCGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-3-2-4-13(11-12)16-9-10-17(23-16)21-18(22)20-15-7-5-14(19)6-8-15/h2-11H,1H3,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea?
1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea has a molecular weight of 342.85 g/mol, XLogP of 6.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea is sourced from PubChem (CID 155436641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).