N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide

C12H17NO2S2 — CID 83202271

IUPACN-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)NOC1CCCC1
InChIInChI=1S/C12H17NO2S2/c14-12(13-15-10-4-1-2-5-10)9-16-8-11-6-3-7-17-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14)
InChIKeyCCJJYPKRSYYJAM-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.97
Rot. Bonds6

About N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 83202271) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID83202271
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)NOC1CCCC1
InChIInChI=1S/C12H17NO2S2/c14-12(13-15-10-4-1-2-5-10)9-16-8-11-6-3-7-17-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14)
InChIKeyCCJJYPKRSYYJAM-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 83202271) is N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide is O=C(CSCc1cccs1)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is CCJJYPKRSYYJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c14-12(13-15-10-4-1-2-5-10)9-16-8-11-6-3-7-17-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14).
What are the key properties of N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 271.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 83202271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).