1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea

C20H19N3O2S — CID 1450049

IUPAC1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H19N3O2S/c1-26-17-11-9-16(10-12-17)21-20(25)22-18-8-5-13-23(19(18)24)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,21,22,25)
InChIKeyDSVCDAHQHBVGLG-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.26
Rot. Bonds5

About 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea

1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea (PubChem CID 1450049) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea
PubChem CID1450049
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H19N3O2S/c1-26-17-11-9-16(10-12-17)21-20(25)22-18-8-5-13-23(19(18)24)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,21,22,25)
InChIKeyDSVCDAHQHBVGLG-UHFFFAOYSA-N
XLogP4.26
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea?
The IUPAC name of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea (CID 1450049) is 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea is CSc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea?
The InChIKey is DSVCDAHQHBVGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-26-17-11-9-16(10-12-17)21-20(25)22-18-8-5-13-23(19(18)24)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea?
1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea has a molecular weight of 365.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 1450049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).