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

C18H15ClN2O3S2 — CID 155436516

IUPAC1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea
SMILESCS(=O)(=O)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C18H15ClN2O3S2/c1-26(23,24)15-4-2-3-12(11-15)16-9-10-17(25-16)21-18(22)20-14-7-5-13(19)6-8-14/h2-11H,1H3,(H2,20,21,22)
InChIKeySYHGBKPHPXFGNP-UHFFFAOYSA-N
MW406.92 g/mol
LogP5.12
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea (PubChem CID 155436516) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea
PubChem CID155436516
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC Name1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea
SMILESCS(=O)(=O)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C18H15ClN2O3S2/c1-26(23,24)15-4-2-3-12(11-15)16-9-10-17(25-16)21-18(22)20-14-7-5-13(19)6-8-14/h2-11H,1H3,(H2,20,21,22)
InChIKeySYHGBKPHPXFGNP-UHFFFAOYSA-N
XLogP5.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)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

Related Compounds

N-[3-chloro-4-(isopropylsulfonyl)-2-thienyl]-N'-(4-chlorophenyl)urea
CID 2819678
N-(4-chlorophenyl)-N'-[4-(isopropylsulfonyl)-2-thienyl]urea
CID 2820034
1-(4-Chlorophenyl)-3-(5-phenylthiophen-2-yl)urea
CID 123128346
1-(4-Chlorophenyl)-3-(3-thiophen-3-ylphenyl)urea
CID 135376124
1-(4-Chlorophenyl)-3-[3-(5-methylthiophen-3-yl)phenyl]urea
CID 135376391
1-(4-Chlorophenyl)-3-[3-(5-methylthiophen-2-yl)phenyl]urea
CID 135376632
1-(4-Chlorophenyl)-3-[5-(3-fluorophenyl)thiophen-2-yl]urea
CID 155436492
1-(4-Chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea
CID 155436493
1-(4-Chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea
CID 155436502
1-(4-Chlorophenyl)-3-[5-(3,4-dichlorophenyl)thiophen-2-yl]urea
CID 155436506
1-(4-Chlorophenyl)-3-[5-(2-chlorophenyl)thiophen-2-yl]urea
CID 155436589
1-(4-Chlorophenyl)-3-[5-(3-methylphenyl)thiophen-2-yl]urea
CID 155436641

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea (CID 155436516) is 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea is CS(=O)(=O)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea?
The InChIKey is SYHGBKPHPXFGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c1-26(23,24)15-4-2-3-12(11-15)16-9-10-17(25-16)21-18(22)20-14-7-5-13(19)6-8-14/h2-11H,1H3,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea?
1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea has a molecular weight of 406.92 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)thiophen-2-yl]urea is sourced from PubChem (CID 155436516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).