N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide

C17H14F2N4O2S — CID 53160849

IUPACN-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCc1nc(-c2cccnc2SCC(=O)NCc2cc(F)cc(F)c2)no1
InChIInChI=1S/C17H14F2N4O2S/c1-10-22-16(23-25-10)14-3-2-4-20-17(14)26-9-15(24)21-8-11-5-12(18)7-13(19)6-11/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyQKZQRQUMIACSBV-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.13
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide

N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53160849) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53160849
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCc1nc(-c2cccnc2SCC(=O)NCc2cc(F)cc(F)c2)no1
InChIInChI=1S/C17H14F2N4O2S/c1-10-22-16(23-25-10)14-3-2-4-20-17(14)26-9-15(24)21-8-11-5-12(18)7-13(19)6-11/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyQKZQRQUMIACSBV-UHFFFAOYSA-N
XLogP3.13
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

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CID 895337
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CID 974714
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CID 2219801
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CID 649956
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CID 71577282
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CID 71577283
CID 71577283
CID 132258424
CID 132258424
CID 974713
CID 974713
CID 1314375
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CID 2977455
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CID 2978114
CID 2978114

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53160849) is N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide is Cc1nc(-c2cccnc2SCC(=O)NCc2cc(F)cc(F)c2)no1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is QKZQRQUMIACSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-10-22-16(23-25-10)14-3-2-4-20-17(14)26-9-15(24)21-8-11-5-12(18)7-13(19)6-11/h2-7H,8-9H2,1H3,(H,21,24).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 376.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53160849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).