2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide

C18H23N3O2S — CID 42739064

IUPAC2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
SMILESCCc1cc(=O)n(C)c(SC(C)C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C18H23N3O2S/c1-5-15-11-16(22)21(4)18(20-15)24-13(3)17(23)19-12(2)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,19,23)
InChIKeyKJSQKSMZKYTPRG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.70
Rot. Bonds6

About 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide (PubChem CID 42739064) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
PubChem CID42739064
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
SMILESCCc1cc(=O)n(C)c(SC(C)C(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C18H23N3O2S/c1-5-15-11-16(22)21(4)18(20-15)24-13(3)17(23)19-12(2)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,19,23)
InChIKeyKJSQKSMZKYTPRG-UHFFFAOYSA-N
XLogP2.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 42739075
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 71984519
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42739089
(2S)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007171
(2S)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylethyl]propanamide
CID 30007176
(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 41052877
2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide
CID 78764288
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 42739159
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 51270256
N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739154
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
CID 51190687
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide
CID 42739130

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide (CID 42739064) is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide is CCc1cc(=O)n(C)c(SC(C)C(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide?
The InChIKey is KJSQKSMZKYTPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-5-15-11-16(22)21(4)18(20-15)24-13(3)17(23)19-12(2)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,19,23).
What are the key properties of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide?
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42739064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).