3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide

C16H17FN2OS — CID 51072652

IUPAC3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)NCCc1ccccn1
InChIInChI=1S/C16H17FN2OS/c17-13-4-6-15(7-5-13)21-12-9-16(20)19-11-8-14-3-1-2-10-18-14/h1-7,10H,8-9,11-12H2,(H,19,20)
InChIKeyFNOKHBGGRYTLCG-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.06
Rot. Bonds7

About 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide

3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 51072652) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID51072652
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)NCCc1ccccn1
InChIInChI=1S/C16H17FN2OS/c17-13-4-6-15(7-5-13)21-12-9-16(20)19-11-8-14-3-1-2-10-18-14/h1-7,10H,8-9,11-12H2,(H,19,20)
InChIKeyFNOKHBGGRYTLCG-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119384723
3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
3-(3-methylidenecyclobutyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 143295596
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
2-(2,4-difluorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 31971931
2-[4-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]phenoxy]acetic acid
CID 119255389
N-[2-(2-fluorophenyl)ethyl]-3-phenylsulfanylpropanamide
CID 78792083
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide (CID 51072652) is 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide is O=C(CCSc1ccc(F)cc1)NCCc1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is FNOKHBGGRYTLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c17-13-4-6-15(7-5-13)21-12-9-16(20)19-11-8-14-3-1-2-10-18-14/h1-7,10H,8-9,11-12H2,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide?
3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 51072652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).