2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

C21H27N3O4S — CID 135645170

IUPAC2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(C2CCCCC2)c1=O
InChIInChI=1S/C21H27N3O4S/c1-3-15-19(26)23-21(24(20(15)27)14-9-5-4-6-10-14)29-13-18(25)22-16-11-7-8-12-17(16)28-2/h7-8,11-12,14,26H,3-6,9-10,13H2,1-2H3,(H,22,25)
InChIKeyMHWWQOWOQGQVHP-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.76
Rot. Bonds7

About 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 135645170) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID135645170
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(C2CCCCC2)c1=O
InChIInChI=1S/C21H27N3O4S/c1-3-15-19(26)23-21(24(20(15)27)14-9-5-4-6-10-14)29-13-18(25)22-16-11-7-8-12-17(16)28-2/h7-8,11-12,14,26H,3-6,9-10,13H2,1-2H3,(H,22,25)
InChIKeyMHWWQOWOQGQVHP-UHFFFAOYSA-N
XLogP3.76
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 7988603
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 21380548
2-[(3-cyclohexyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 3685881
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7673580
N-(5-acetamido-2-methoxyphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 55404752
2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 2553271
N-(2-methoxyphenyl)-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 20879263
2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 19716846
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
2-[(3-cyclopentyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 3981981
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733
methyl 4-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155405

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 135645170) is 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is CCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is MHWWQOWOQGQVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-3-15-19(26)23-21(24(20(15)27)14-9-5-4-6-10-14)29-13-18(25)22-16-11-7-8-12-17(16)28-2/h7-8,11-12,14,26H,3-6,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 135645170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).