N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C16H23NO2S2 — CID 71804865

IUPACN-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOC1(CNC(=O)C2(c3cccs3)CCCC2)CCSC1
InChIInChI=1S/C16H23NO2S2/c1-19-15(8-10-20-12-15)11-17-14(18)16(6-2-3-7-16)13-5-4-9-21-13/h4-5,9H,2-3,6-8,10-12H2,1H3,(H,17,18)
InChIKeyATSZJVURYOKXSP-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.20
Rot. Bonds5

About N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71804865) has the molecular formula C16H23NO2S2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71804865
Molecular FormulaC16H23NO2S2
Molecular Weight325.50 g/mol
Exact Mass325.12
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOC1(CNC(=O)C2(c3cccs3)CCCC2)CCSC1
InChIInChI=1S/C16H23NO2S2/c1-19-15(8-10-20-12-15)11-17-14(18)16(6-2-3-7-16)13-5-4-9-21-13/h4-5,9H,2-3,6-8,10-12H2,1H3,(H,17,18)
InChIKeyATSZJVURYOKXSP-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 71981871
N-{[1-(thiophen-2-yl)cyclopentyl]methyl}cyclopentanecarboxamide
CID 25882300
2-(thiophen-2-yl)-N-{[1-(thiophen-2-yl)cyclopentyl]methyl}acetamide
CID 25882302
N-(2-methoxyethyl)-N'-{[1-(thiophen-2-yl)cyclopentyl]methyl}ethanediamide
CID 25882738
N-cyclopentyl-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 42435269
N-isopentyl-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 42435315
N-(2-methoxyethyl)-1-(thiophen-2-yl)cyclopentane-1-carboxamide
CID 42435327
1-(thiophen-2-yl)-N-(thiophen-2-ylmethyl)cyclopentanecarboxamide
CID 42435410
N-(2-(cyclohex-1-en-1-yl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 42435425
N-cycloheptyl-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 42435475
N-isopropyl-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 42435524
N-cyclopropyl1-(2-thienyl)cyclopentanecarboxamide
CID 42435531

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71804865) is N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is COC1(CNC(=O)C2(c3cccs3)CCCC2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is ATSZJVURYOKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S2/c1-19-15(8-10-20-12-15)11-17-14(18)16(6-2-3-7-16)13-5-4-9-21-13/h4-5,9H,2-3,6-8,10-12H2,1H3,(H,17,18).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71804865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).