1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea

C17H13ClN2OS — CID 155436719

IUPAC1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1csc(-c2ccccc2)c1
InChIInChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)19-17(21)20-15-10-16(22-11-15)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21)
InChIKeyQBAIWNFMSBLJKG-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.71
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea

1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea (PubChem CID 155436719) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea
PubChem CID155436719
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1csc(-c2ccccc2)c1
InChIInChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)19-17(21)20-15-10-16(22-11-15)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21)
InChIKeyQBAIWNFMSBLJKG-UHFFFAOYSA-N
XLogP5.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.71
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-(5-phenylthiophen-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea (CID 155436719) is 1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1csc(-c2ccccc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea?
The InChIKey is QBAIWNFMSBLJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)19-17(21)20-15-10-16(22-11-15)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea?
1-(4-chlorophenyl)-3-(5-phenylthiophen-3-yl)urea has a molecular weight of 328.82 g/mol, XLogP of 5.71, 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-phenylthiophen-3-yl)urea is sourced from PubChem (CID 155436719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).