N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide

C13H19NOS2 — CID 94101567

IUPACN-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCSC1CCCC1
InChIInChI=1S/C13H19NOS2/c15-13(10-12-6-3-8-16-12)14-7-9-17-11-4-1-2-5-11/h3,6,8,11H,1-2,4-5,7,9-10H2,(H,14,15)
InChIKeyQNTPBTHFIZZCBT-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.08
Rot. Bonds6

About N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide

N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide (PubChem CID 94101567) has the molecular formula C13H19NOS2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
PubChem CID94101567
Molecular FormulaC13H19NOS2
Molecular Weight269.43 g/mol
Exact Mass269.09
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCSC1CCCC1
InChIInChI=1S/C13H19NOS2/c15-13(10-12-6-3-8-16-12)14-7-9-17-11-4-1-2-5-11/h3,6,8,11H,1-2,4-5,7,9-10H2,(H,14,15)
InChIKeyQNTPBTHFIZZCBT-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
2-(cyclopentylsulfanylmethyl)thiophene
CID 130677399
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide (CID 94101567) is N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is QNTPBTHFIZZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c15-13(10-12-6-3-8-16-12)14-7-9-17-11-4-1-2-5-11/h3,6,8,11H,1-2,4-5,7,9-10H2,(H,14,15).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide?
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 269.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 94101567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).