2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide

C14H14FN3OS — CID 91813308

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCc1cncnc1
InChIInChI=1S/C14H14FN3OS/c15-12-1-3-13(4-2-12)20-9-14(19)18-6-5-11-7-16-10-17-8-11/h1-4,7-8,10H,5-6,9H2,(H,18,19)
InChIKeyFWIASOGXWUBISQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.07
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide (PubChem CID 91813308) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide
PubChem CID91813308
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCc1cncnc1
InChIInChI=1S/C14H14FN3OS/c15-12-1-3-13(4-2-12)20-9-14(19)18-6-5-11-7-16-10-17-8-11/h1-4,7-8,10H,5-6,9H2,(H,18,19)
InChIKeyFWIASOGXWUBISQ-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-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
2-(4-fluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107318521
2-(4-fluorophenyl)sulfanyl-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654674
2-(4-fluorophenyl)sulfanyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51252037
4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 80539179
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-3-ylethyl)acetamide
CID 55555065
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 8886336
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
CID 35608176
2-(4-fluorophenyl)sulfanyl-N-[5-(2-pyridin-4-yl-1,3-thiazol-4-yl)pentyl]acetamide
CID 58757056
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 43250430
2-(4-fluorophenyl)sulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 71802213

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide (CID 91813308) is 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide is O=C(CSc1ccc(F)cc1)NCCc1cncnc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide?
The InChIKey is FWIASOGXWUBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-12-1-3-13(4-2-12)20-9-14(19)18-6-5-11-7-16-10-17-8-11/h1-4,7-8,10H,5-6,9H2,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide 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 2-(4-fluorophenyl)sulfanyl-N-(2-pyrimidin-5-ylethyl)acetamide is sourced from PubChem (CID 91813308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).