2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide

C17H25NOS2 — CID 86264320

IUPAC2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C17H25NOS2/c19-16(12-21-15-5-1-2-6-15)18-13-17(8-3-4-9-17)14-7-10-20-11-14/h7,10-11,15H,1-6,8-9,12-13H2,(H,18,19)
InChIKeyGOHQDBAZOFCWFG-UHFFFAOYSA-N
MW323.53 g/mol
LogP4.35
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide

2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide (PubChem CID 86264320) has the molecular formula C17H25NOS2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide
PubChem CID86264320
Molecular FormulaC17H25NOS2
Molecular Weight323.53 g/mol
Exact Mass323.14
IUPAC Name2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C17H25NOS2/c19-16(12-21-15-5-1-2-6-15)18-13-17(8-3-4-9-17)14-7-10-20-11-14/h7,10-11,15H,1-6,8-9,12-13H2,(H,18,19)
InChIKeyGOHQDBAZOFCWFG-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide (CID 86264320) is 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide is O=C(CSC1CCCC1)NCC1(c2ccsc2)CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide?
The InChIKey is GOHQDBAZOFCWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS2/c19-16(12-21-15-5-1-2-6-15)18-13-17(8-3-4-9-17)14-7-10-20-11-14/h7,10-11,15H,1-6,8-9,12-13H2,(H,18,19).
What are the key properties of 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide?
2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide has a molecular weight of 323.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 86264320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).