N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide

C14H15N3OS — CID 846435

IUPACN-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCCc1ccccc1
InChIInChI=1S/C14H15N3OS/c18-13(11-19-14-16-8-4-9-17-14)15-10-7-12-5-2-1-3-6-12/h1-6,8-9H,7,10-11H2,(H,15,18)
InChIKeyALCFKMPYUAYEHN-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.93
Rot. Bonds6

About N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 846435) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID846435
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCCc1ccccc1
InChIInChI=1S/C14H15N3OS/c18-13(11-19-14-16-8-4-9-17-14)15-10-7-12-5-2-1-3-6-12/h1-6,8-9H,7,10-11H2,(H,15,18)
InChIKeyALCFKMPYUAYEHN-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 6487647
N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202409
N-(3-phenylpropyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196826
N-(2-phenylethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3299041
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 92513723
2-(3-aminopyrazin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 106679306
N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 39082404
N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 39082382
N-(2-phenylethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896830
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632
N-(2-phenylethyl)-2-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)acetamide
CID 6407249

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 846435) is N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is ALCFKMPYUAYEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13(11-19-14-16-8-4-9-17-14)15-10-7-12-5-2-1-3-6-12/h1-6,8-9H,7,10-11H2,(H,15,18).
What are the key properties of N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 273.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 846435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).