N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

C18H21N3O3S — CID 135476864

IUPACN-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)NC1CCCCC1
InChIInChI=1S/C18H21N3O3S/c22-15-11-17(24)21(14-9-5-2-6-10-14)18(20-15)25-12-16(23)19-13-7-3-1-4-8-13/h2,5-6,9-11,13,22H,1,3-4,7-8,12H2,(H,19,23)
InChIKeyUYSVZHGIVDFCEO-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.48
Rot. Bonds5

About N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135476864) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135476864
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)NC1CCCCC1
InChIInChI=1S/C18H21N3O3S/c22-15-11-17(24)21(14-9-5-2-6-10-14)18(20-15)25-12-16(23)19-13-7-3-1-4-8-13/h2,5-6,9-11,13,22H,1,3-4,7-8,12H2,(H,19,23)
InChIKeyUYSVZHGIVDFCEO-UHFFFAOYSA-N
XLogP2.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (CID 135476864) is N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UYSVZHGIVDFCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-15-11-17(24)21(14-9-5-2-6-10-14)18(20-15)25-12-16(23)19-13-7-3-1-4-8-13/h2,5-6,9-11,13,22H,1,3-4,7-8,12H2,(H,19,23).
What are the key properties of N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 359.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135476864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).