N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide

C13H17NOS — CID 78909471

IUPACN-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2CCCC2)s1
InChIInChI=1S/C13H17NOS/c1-10-6-7-12(16-10)8-9-13(15)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,14,15)
InChIKeyRDSYXILBQBLMRJ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.13
Rot. Bonds3

About N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide

N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 78909471) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID78909471
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2CCCC2)s1
InChIInChI=1S/C13H17NOS/c1-10-6-7-12(16-10)8-9-13(15)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,14,15)
InChIKeyRDSYXILBQBLMRJ-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427568
(E)-N-(2-hydroxycyclohexyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 55063839
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103860357
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113259271
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 55424053
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
3-[3-(5-methylthiophen-2-yl)prop-2-enoylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 77037163
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
(E)-N-(4-methylpiperazin-1-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9205614
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-3-(5-nitrothiophen-2-yl)-N-piperidin-4-ylprop-2-enamide
CID 127217570

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 78909471) is N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)NC2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is RDSYXILBQBLMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10-6-7-12(16-10)8-9-13(15)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,14,15).
What are the key properties of N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 235.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 78909471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).