1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea

C17H13ClN2OS — CID 155436645

IUPAC1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)cs1
InChIInChI=1S/C17H13ClN2OS/c18-14-6-8-15(9-7-14)19-17(21)20-16-10-13(11-22-16)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21)
InChIKeyLYMQFBYHEPPDPY-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.71
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea

1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea (PubChem CID 155436645) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea
PubChem CID155436645
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)cs1
InChIInChI=1S/C17H13ClN2OS/c18-14-6-8-15(9-7-14)19-17(21)20-16-10-13(11-22-16)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21)
InChIKeyLYMQFBYHEPPDPY-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-(4-phenylthiophen-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea (CID 155436645) is 1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)cs1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea?
The InChIKey is LYMQFBYHEPPDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c18-14-6-8-15(9-7-14)19-17(21)20-16-10-13(11-22-16)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-(4-phenylthiophen-2-yl)urea?
1-(4-chlorophenyl)-3-(4-phenylthiophen-2-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-(4-phenylthiophen-2-yl)urea is sourced from PubChem (CID 155436645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).