N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

C19H23N3O3S — CID 135516933

IUPACN-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1c(O)nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H23N3O3S/c1-13-17(24)21-19(22(18(13)25)15-10-6-3-7-11-15)26-12-16(23)20-14-8-4-2-5-9-14/h3,6-7,10-11,14,24H,2,4-5,8-9,12H2,1H3,(H,20,23)
InChIKeyGEDNNGFUGRFOBU-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.79
Rot. Bonds5

About N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135516933) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135516933
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1c(O)nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H23N3O3S/c1-13-17(24)21-19(22(18(13)25)15-10-6-3-7-11-15)26-12-16(23)20-14-8-4-2-5-9-14/h3,6-7,10-11,14,24H,2,4-5,8-9,12H2,1H3,(H,20,23)
InChIKeyGEDNNGFUGRFOBU-UHFFFAOYSA-N
XLogP2.79
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 135485274
N-cycloheptyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 977665
N-cyclooctyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4265490
N-cyclohexyl-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2155122
N-cyclopropyl-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17438808
N-cyclohexyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17400783
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 1328524
N-cyclohexyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1073126
N-cyclohexyl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42658241
N-cyclopentyl-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CID 71681800
N-(4-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8871437
2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
CID 29172805

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (CID 135516933) is N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is Cc1c(O)nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O.
What is the InChIKey of N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is GEDNNGFUGRFOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-17(24)21-19(22(18(13)25)15-10-6-3-7-11-15)26-12-16(23)20-14-8-4-2-5-9-14/h3,6-7,10-11,14,24H,2,4-5,8-9,12H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 373.48 g/mol, XLogP of 2.79, 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-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135516933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).