1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea

C12H11ClN2OS — CID 858202

IUPAC1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16)
InChIKeyZSFZIHMLIMWVNE-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea

1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 858202) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID858202
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16)
InChIKeyZSFZIHMLIMWVNE-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea (CID 858202) is 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ZSFZIHMLIMWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea?
1-(4-chlorophenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 266.75 g/mol, XLogP of 3.72, 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-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 858202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).