N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide

C21H27N3O3S — CID 135485274

IUPACN-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)c1c(O)nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H27N3O3S/c1-14(2)18-19(26)23-21(24(20(18)27)16-11-7-4-8-12-16)28-13-17(25)22-15-9-5-3-6-10-15/h4,7-8,11-12,14-15,26H,3,5-6,9-10,13H2,1-2H3,(H,22,25)
InChIKeyKQBJPAGIBWDWNE-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.60
Rot. Bonds6

About N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135485274) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135485274
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)c1c(O)nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H27N3O3S/c1-14(2)18-19(26)23-21(24(20(18)27)16-11-7-4-8-12-16)28-13-17(25)22-15-9-5-3-6-10-15/h4,7-8,11-12,14-15,26H,3,5-6,9-10,13H2,1-2H3,(H,22,25)
InChIKeyKQBJPAGIBWDWNE-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 135516933
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-cyclooctyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4265490
N-cycloheptyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 977665
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
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide
CID 2595053
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2216145

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide (CID 135485274) is N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide is CC(C)c1c(O)nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O.
What is the InChIKey of N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KQBJPAGIBWDWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-14(2)18-19(26)23-21(24(20(18)27)16-11-7-4-8-12-16)28-13-17(25)22-15-9-5-3-6-10-15/h4,7-8,11-12,14-15,26H,3,5-6,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(4-hydroxy-6-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 401.53 g/mol, XLogP of 3.60, 6 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-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135485274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).