N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide

C12H17NO2S2 — CID 71804821

IUPACN-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCOC1(CNC(=O)Cc2cccs2)CCSC1
InChIInChI=1S/C12H17NO2S2/c1-15-12(4-6-16-9-12)8-13-11(14)7-10-3-2-5-17-10/h2-3,5H,4,6-9H2,1H3,(H,13,14)
InChIKeySNPISDYHGFFHSS-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.93
Rot. Bonds5

About N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide

N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 71804821) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID71804821
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCOC1(CNC(=O)Cc2cccs2)CCSC1
InChIInChI=1S/C12H17NO2S2/c1-15-12(4-6-16-9-12)8-13-11(14)7-10-3-2-5-17-10/h2-3,5H,4,6-9H2,1H3,(H,13,14)
InChIKeySNPISDYHGFFHSS-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-tetrahydrofurfuryl-2-(2-thienyl)-
CID 531782
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
N-(3-Butoxypropyl)-2-(2-thienyl)acetamide
CID 2162137
N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 670146
2-Thiopheneacetamide, N-isobutyl-
CID 836216
N-butyl-2-thiophen-2-ylacetamide
CID 1819347
2-Thiopheneacetamide, N-pentyl-
CID 2445132
N-(ethylpropyl)-2-(2-thienyl)acetamide
CID 670789
N-(3-ethoxypropyl)-2-(2-thienyl)acetamide
CID 3668870
N-[(3-hydroxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 71981871
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 72115931
N-[3-(morpholin-4-yl)propyl]-2-(thiophen-2-yl)acetamide
CID 2582267

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 71804821) is N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide is COC1(CNC(=O)Cc2cccs2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is SNPISDYHGFFHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-15-12(4-6-16-9-12)8-13-11(14)7-10-3-2-5-17-10/h2-3,5H,4,6-9H2,1H3,(H,13,14).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(3-methoxythiolan-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 271.41 g/mol, XLogP of 1.93, 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]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71804821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).