N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide

C20H19N3OS — CID 6487647

IUPACN-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccc(-c2ccccc2)n1)NCCc1ccccc1
InChIInChI=1S/C20H19N3OS/c24-19(21-13-11-16-7-3-1-4-8-16)15-25-20-22-14-12-18(23-20)17-9-5-2-6-10-17/h1-10,12,14H,11,13,15H2,(H,21,24)
InChIKeyJMMANUGLOHSQOC-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.59
Rot. Bonds7

About N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide

N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 6487647) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID6487647
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccc(-c2ccccc2)n1)NCCc1ccccc1
InChIInChI=1S/C20H19N3OS/c24-19(21-13-11-16-7-3-1-4-8-16)15-25-20-22-14-12-18(23-20)17-9-5-2-6-10-17/h1-10,12,14H,11,13,15H2,(H,21,24)
InChIKeyJMMANUGLOHSQOC-UHFFFAOYSA-N
XLogP3.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-(2-phenylethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3299041
2-benzylsulfanyl-4-phenylpyrimidine
CID 13116377
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905109
N-(2-phenylethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896830
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 3104342
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 17288834
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667335
N-(3-phenylpropyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196826
2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 29316962
N-benzyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158484
2-[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 19583218

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide (CID 6487647) is N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide is O=C(CSc1nccc(-c2ccccc2)n1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is JMMANUGLOHSQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-19(21-13-11-16-7-3-1-4-8-16)15-25-20-22-14-12-18(23-20)17-9-5-2-6-10-17/h1-10,12,14H,11,13,15H2,(H,21,24).
What are the key properties of N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide?
N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 6487647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).