3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide

C14H21NOS — CID 896861

IUPAC3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCC1CCCCC1)NCc1cccs1
InChIInChI=1S/C14H21NOS/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2,(H,15,16)
InChIKeyOTEFSTREWPUWLO-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.72
Rot. Bonds5

About 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide

3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 896861) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID896861
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCC1CCCCC1)NCc1cccs1
InChIInChI=1S/C14H21NOS/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2,(H,15,16)
InChIKeyOTEFSTREWPUWLO-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide (CID 896861) is 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide is O=C(CCC1CCCCC1)NCc1cccs1.
What is the InChIKey of 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OTEFSTREWPUWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2,(H,15,16).
What are the key properties of 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide?
3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 251.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 896861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).