N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

C14H14FN3OS — CID 9202409

IUPACN-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCCc1ccccc1F
InChIInChI=1S/C14H14FN3OS/c15-12-5-2-1-4-11(12)6-9-16-13(19)10-20-14-17-7-3-8-18-14/h1-5,7-8H,6,9-10H2,(H,16,19)
InChIKeyHCWCSYCFPBXHFC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.07
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 9202409) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID9202409
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCCc1ccccc1F
InChIInChI=1S/C14H14FN3OS/c15-12-5-2-1-4-11(12)6-9-16-13(19)10-20-14-17-7-3-8-18-14/h1-5,7-8H,6,9-10H2,(H,16,19)
InChIKeyHCWCSYCFPBXHFC-UHFFFAOYSA-N
XLogP2.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347617
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8567177
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
CID 78792083
N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8686311
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
N-[2-(2-fluorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9405078

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 9202409) is N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is HCWCSYCFPBXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-12-5-2-1-4-11(12)6-9-16-13(19)10-20-14-17-7-3-8-18-14/h1-5,7-8H,6,9-10H2,(H,16,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 291.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 9202409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).