2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide

C17H20N2OS2 — CID 90627949

IUPAC2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCc1cncc(-c2ccsc2)c1
InChIInChI=1S/C17H20N2OS2/c20-17(12-22-16-3-1-2-4-16)19-9-13-7-15(10-18-8-13)14-5-6-21-11-14/h5-8,10-11,16H,1-4,9,12H2,(H,19,20)
InChIKeyHDPBPWNLDXEAPH-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.10
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide

2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide (PubChem CID 90627949) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
PubChem CID90627949
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC Name2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCc1cncc(-c2ccsc2)c1
InChIInChI=1S/C17H20N2OS2/c20-17(12-22-16-3-1-2-4-16)19-9-13-7-15(10-18-8-13)14-5-6-21-11-14/h5-8,10-11,16H,1-4,9,12H2,(H,19,20)
InChIKeyHDPBPWNLDXEAPH-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide (CID 90627949) is 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide is O=C(CSC1CCCC1)NCc1cncc(-c2ccsc2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is HDPBPWNLDXEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS2/c20-17(12-22-16-3-1-2-4-16)19-9-13-7-15(10-18-8-13)14-5-6-21-11-14/h5-8,10-11,16H,1-4,9,12H2,(H,19,20).
What are the key properties of 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide?
2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 90627949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).