N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide

C18H23N3O3S — CID 135963918

IUPACN-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc(C)c(CCO)c(=O)[nH]1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O3S/c1-4-21(14-7-5-6-12(2)10-14)16(23)11-25-18-19-13(3)15(8-9-22)17(24)20-18/h5-7,10,22H,4,8-9,11H2,1-3H3,(H,19,20,24)
InChIKeyDIYXMAHVPFDGSH-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.07
Rot. Bonds7

About N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide

N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 135963918) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID135963918
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc(C)c(CCO)c(=O)[nH]1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O3S/c1-4-21(14-7-5-6-12(2)10-14)16(23)11-25-18-19-13(3)15(8-9-22)17(24)20-18/h5-7,10,22H,4,8-9,11H2,1-3H3,(H,19,20,24)
InChIKeyDIYXMAHVPFDGSH-UHFFFAOYSA-N
XLogP2.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide (CID 135963918) is N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide is CCN(C(=O)CSc1nc(C)c(CCO)c(=O)[nH]1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is DIYXMAHVPFDGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-21(14-7-5-6-12(2)10-14)16(23)11-25-18-19-13(3)15(8-9-22)17(24)20-18/h5-7,10,22H,4,8-9,11H2,1-3H3,(H,19,20,24).
What are the key properties of N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide?
N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 135963918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).