1-(2-chlorophenyl)-3-thiophen-2-ylurea

C11H9ClN2OS — CID 3238296

IUPAC1-(2-chlorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1ccccc1Cl
InChIInChI=1S/C11H9ClN2OS/c12-8-4-1-2-5-9(8)13-11(15)14-10-6-3-7-16-10/h1-7H,(H2,13,14,15)
InChIKeyLZVGEBADCUSIGP-UHFFFAOYSA-N
MW252.73 g/mol
LogP4.05
Rot. Bonds2

About 1-(2-chlorophenyl)-3-thiophen-2-ylurea

1-(2-chlorophenyl)-3-thiophen-2-ylurea (PubChem CID 3238296) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-thiophen-2-ylurea
PubChem CID3238296
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name1-(2-chlorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1ccccc1Cl
InChIInChI=1S/C11H9ClN2OS/c12-8-4-1-2-5-9(8)13-11(15)14-10-6-3-7-16-10/h1-7H,(H2,13,14,15)
InChIKeyLZVGEBADCUSIGP-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2-chlorophenyl)-3-thiophen-2-ylurea (CID 3238296) is 1-(2-chlorophenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2-chlorophenyl)-3-thiophen-2-ylurea is O=C(Nc1cccs1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-thiophen-2-ylurea?
The InChIKey is LZVGEBADCUSIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-8-4-1-2-5-9(8)13-11(15)14-10-6-3-7-16-10/h1-7H,(H2,13,14,15).
What are the key properties of 1-(2-chlorophenyl)-3-thiophen-2-ylurea?
1-(2-chlorophenyl)-3-thiophen-2-ylurea has a molecular weight of 252.73 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 3238296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).