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

C15H17N3O3S — CID 30595396

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSc1ccnc(=O)[nH]1
InChIInChI=1S/C15H17N3O3S/c1-21-12-5-3-2-4-11(12)6-8-16-13(19)10-22-14-7-9-17-15(20)18-14/h2-5,7,9H,6,8,10H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyVANQJOBGHHBBAK-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.23
Rot. Bonds7

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

N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 30595396) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID30595396
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSc1ccnc(=O)[nH]1
InChIInChI=1S/C15H17N3O3S/c1-21-12-5-3-2-4-11(12)6-8-16-13(19)10-22-14-7-9-17-15(20)18-14/h2-5,7,9H,6,8,10H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyVANQJOBGHHBBAK-UHFFFAOYSA-N
XLogP1.23
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
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2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594453
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40661407
N-[2-(2-methoxyphenyl)ethyl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55338621
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110686709
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936648
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 4788891

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 30595396) is N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is COc1ccccc1CCNC(=O)CSc1ccnc(=O)[nH]1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is VANQJOBGHHBBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-21-12-5-3-2-4-11(12)6-8-16-13(19)10-22-14-7-9-17-15(20)18-14/h2-5,7,9H,6,8,10H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 30595396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).