2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide

C12H16ClNO2S — CID 106812168

IUPAC2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
SMILESCCSC1CCC(NC(=O)c2ccoc2Cl)C1
InChIInChI=1S/C12H16ClNO2S/c1-2-17-9-4-3-8(7-9)14-12(15)10-5-6-16-11(10)13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeyJRKZDLFKVDRQRU-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.34
Rot. Bonds4

About 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide

2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide (PubChem CID 106812168) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
PubChem CID106812168
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
SMILESCCSC1CCC(NC(=O)c2ccoc2Cl)C1
InChIInChI=1S/C12H16ClNO2S/c1-2-17-9-4-3-8(7-9)14-12(15)10-5-6-16-11(10)13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeyJRKZDLFKVDRQRU-UHFFFAOYSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106685563
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide
CID 104589681
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 106544630
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
2-(ethylamino)-N-(3-ethylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103738205
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 100627468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide (CID 106812168) is 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide is CCSC1CCC(NC(=O)c2ccoc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide?
The InChIKey is JRKZDLFKVDRQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-2-17-9-4-3-8(7-9)14-12(15)10-5-6-16-11(10)13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide?
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide has a molecular weight of 273.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide is sourced from PubChem (CID 106812168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).