2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

C19H17N3O3S — CID 1379557

IUPAC2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C19H17N3O3S/c23-16(20-14-9-5-2-6-10-14)12-26-19-21-17(24)15(18(25)22-19)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,23)(H2,21,22,24,25)
InChIKeyOBBIKVAJNYZMOC-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.80
Rot. Bonds6

About 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 1379557) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID1379557
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C19H17N3O3S/c23-16(20-14-9-5-2-6-10-14)12-26-19-21-17(24)15(18(25)22-19)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,23)(H2,21,22,24,25)
InChIKeyOBBIKVAJNYZMOC-UHFFFAOYSA-N
XLogP2.80
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (CID 1379557) is 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is OBBIKVAJNYZMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-16(20-14-9-5-2-6-10-14)12-26-19-21-17(24)15(18(25)22-19)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,23)(H2,21,22,24,25).
What are the key properties of 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 367.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1379557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).