N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C18H23N3O2S — CID 135410606

IUPACN-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(CC)Cc2ccccc2)n1
InChIInChI=1S/C18H23N3O2S/c1-3-8-15-11-16(22)20-18(19-15)24-13-17(23)21(4-2)12-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,19,20,22)
InChIKeyBOVNENKIGXJTQU-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.86
Rot. Bonds8

About N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135410606) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135410606
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(CC)Cc2ccccc2)n1
InChIInChI=1S/C18H23N3O2S/c1-3-8-15-11-16(22)20-18(19-15)24-13-17(23)21(4-2)12-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,19,20,22)
InChIKeyBOVNENKIGXJTQU-UHFFFAOYSA-N
XLogP2.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Benzyl-2-(cyclohexylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402808
2-(Allylthio)-6-benzyl-5-methylpyrimidin-4(3H)-one
CID 135924221
ST50189370
CID 135412240
2-(methylthio)-6-phenylpyrimidin-4(3H)-one
CID 135408535
2-(Butan-2-ylsulfanyl)-6-[(3-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 135402812
(4-Oxo-6-phenyl-1,4-dihydro-pyrimidin-2-ylsulfanyl)-acetic acid
CID 135449775
N-benzyl-N-methyl-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135415412
N,N-diethyl-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135405931
2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 135432371
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 135525771
2-(cinnamylthio)-6-ethylpyrimidin-4(3H)-one
CID 135561498

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135410606) is N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(CC)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is BOVNENKIGXJTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-8-15-11-16(22)20-18(19-15)24-13-17(23)21(4-2)12-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,19,20,22).
What are the key properties of N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135410606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).