1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea

C17H14N2OS2 — CID 155551866

IUPAC1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Sc2cccs2)cc1
InChIInChI=1S/C17H14N2OS2/c20-17(18-13-5-2-1-3-6-13)19-14-8-10-15(11-9-14)22-16-7-4-12-21-16/h1-12H,(H2,18,19,20)
InChIKeyCWMGORJKBUGNAV-UHFFFAOYSA-N
MW326.45 g/mol
LogP5.54
Rot. Bonds4

About 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea

1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea (PubChem CID 155551866) has the molecular formula C17H14N2OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea
PubChem CID155551866
Molecular FormulaC17H14N2OS2
Molecular Weight326.45 g/mol
Exact Mass326.05
IUPAC Name1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Sc2cccs2)cc1
InChIInChI=1S/C17H14N2OS2/c20-17(18-13-5-2-1-3-6-13)19-14-8-10-15(11-9-14)22-16-7-4-12-21-16/h1-12H,(H2,18,19,20)
InChIKeyCWMGORJKBUGNAV-UHFFFAOYSA-N
XLogP5.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.45
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea?
The IUPAC name of 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea (CID 155551866) is 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea.
What is the SMILES notation for 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea?
The canonical SMILES for 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea is O=C(Nc1ccccc1)Nc1ccc(Sc2cccs2)cc1.
What is the InChIKey of 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea?
The InChIKey is CWMGORJKBUGNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS2/c20-17(18-13-5-2-1-3-6-13)19-14-8-10-15(11-9-14)22-16-7-4-12-21-16/h1-12H,(H2,18,19,20).
What are the key properties of 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea?
1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea has a molecular weight of 326.45 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea is sourced from PubChem (CID 155551866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).