N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide

C19H21FN2OS — CID 91797143

IUPACN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C19H21FN2OS/c20-16-5-3-4-15(12-16)19(8-1-2-9-19)14-22-18(23)13-24-17-6-10-21-11-7-17/h3-7,10-12H,1-2,8-9,13-14H2,(H,22,23)
InChIKeyGWEVNSIDPCBPNG-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.94
Rot. Bonds6

About N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 91797143) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID91797143
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C19H21FN2OS/c20-16-5-3-4-15(12-16)19(8-1-2-9-19)14-22-18(23)13-24-17-6-10-21-11-7-17/h3-7,10-12H,1-2,8-9,13-14H2,(H,22,23)
InChIKeyGWEVNSIDPCBPNG-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 84592012
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46972124
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91842555
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91783003
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 60513656
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 47921613
3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
CID 118760643

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide (CID 91797143) is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCC1(c2cccc(F)c2)CCCC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is GWEVNSIDPCBPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c20-16-5-3-4-15(12-16)19(8-1-2-9-19)14-22-18(23)13-24-17-6-10-21-11-7-17/h3-7,10-12H,1-2,8-9,13-14H2,(H,22,23).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 344.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 91797143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).