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

C16H19N3O2S — CID 135416815

IUPACN-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O2S/c1-3-19(10-13-7-5-4-6-8-13)15(21)11-22-16-17-12(2)9-14(20)18-16/h4-9H,3,10-11H2,1-2H3,(H,17,18,20)
InChIKeyPAIXOJHCZSGIOE-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.22
Rot. Bonds6

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

N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135416815) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135416815
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O2S/c1-3-19(10-13-7-5-4-6-8-13)15(21)11-22-16-17-12(2)9-14(20)18-16/h4-9H,3,10-11H2,1-2H3,(H,17,18,20)
InChIKeyPAIXOJHCZSGIOE-UHFFFAOYSA-N
XLogP2.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135416815) is N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is PAIXOJHCZSGIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-19(10-13-7-5-4-6-8-13)15(21)11-22-16-17-12(2)9-14(20)18-16/h4-9H,3,10-11H2,1-2H3,(H,17,18,20).
What are the key properties of N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.22, 6 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-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135416815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).