2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide

C17H20N2O2S — CID 91817271

IUPAC2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide
SMILESO=C(CSC1CCCC1)NCc1cccnc1-c1ccco1
InChIInChI=1S/C17H20N2O2S/c20-16(12-22-14-6-1-2-7-14)19-11-13-5-3-9-18-17(13)15-8-4-10-21-15/h3-5,8-10,14H,1-2,6-7,11-12H2,(H,19,20)
InChIKeyXTQZFOKFIPZAGI-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.63
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide

2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 91817271) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide
PubChem CID91817271
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide
SMILESO=C(CSC1CCCC1)NCc1cccnc1-c1ccco1
InChIInChI=1S/C17H20N2O2S/c20-16(12-22-14-6-1-2-7-14)19-11-13-5-3-9-18-17(13)15-8-4-10-21-15/h3-5,8-10,14H,1-2,6-7,11-12H2,(H,19,20)
InChIKeyXTQZFOKFIPZAGI-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide (CID 91817271) is 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide is O=C(CSC1CCCC1)NCc1cccnc1-c1ccco1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is XTQZFOKFIPZAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-16(12-22-14-6-1-2-7-14)19-11-13-5-3-9-18-17(13)15-8-4-10-21-15/h3-5,8-10,14H,1-2,6-7,11-12H2,(H,19,20).
What are the key properties of 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide?
2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 91817271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).