(E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide

C12H14ClNO2S — CID 83202194

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)NOC1CCCC1
InChIInChI=1S/C12H14ClNO2S/c13-11-7-5-10(17-11)6-8-12(15)14-16-9-3-1-2-4-9/h5-9H,1-4H2,(H,14,15)/b8-6+
InChIKeySTGOZKIVEVDDMF-SOFGYWHQSA-N
MW271.77 g/mol
LogP3.41
Rot. Bonds4

About (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide (PubChem CID 83202194) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide
PubChem CID83202194
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)NOC1CCCC1
InChIInChI=1S/C12H14ClNO2S/c13-11-7-5-10(17-11)6-8-12(15)14-16-9-3-1-2-4-9/h5-9H,1-4H2,(H,14,15)/b8-6+
InChIKeySTGOZKIVEVDDMF-SOFGYWHQSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81340389
(E)-3-(5-chlorothiophen-2-yl)prop-2-enamide
CID 43237183
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-ethoxyacetamide
CID 45800539
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
3-(5-Chlorothiophen-2-yl)prop-2-enamide
CID 74868106
2-[3-(5-Chlorothiophen-2-yl)prop-2-enoylamino]oxyacetic acid
CID 77013240
(E)-3-(5-chlorothiophen-2-yl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79675672
(E)-3-(5-chlorothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82724393
(E)-N-cyclopentyloxy-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 83202188
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide
CID 83202951
5-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83203005
(E)-N-(2-amino-2-oxoethoxy)-3-(5-chlorothiophen-2-yl)prop-2-enamide
CID 112674391

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide (CID 83202194) is (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide is O=C(/C=C/c1ccc(Cl)s1)NOC1CCCC1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide?
The InChIKey is STGOZKIVEVDDMF-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-11-7-5-10(17-11)6-8-12(15)14-16-9-3-1-2-4-9/h5-9H,1-4H2,(H,14,15)/b8-6+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide has a molecular weight of 271.77 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-cyclopentyloxyprop-2-enamide is sourced from PubChem (CID 83202194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).