5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide

C12H16ClNOS2 — CID 95788483

IUPAC5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide
SMILESCCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNOS2/c1-2-16-9-5-3-4-8(9)14-12(15)10-6-7-11(13)17-10/h6-9H,2-5H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyKSXGGUAXENRCPP-DTWKUNHWSA-N
MW289.85 g/mol
LogP3.81
Rot. Bonds4

About 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide

5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide (PubChem CID 95788483) has the molecular formula C12H16ClNOS2 and a molecular weight of 289.85 g/mol. Its IUPAC name is 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide
PubChem CID95788483
Molecular FormulaC12H16ClNOS2
Molecular Weight289.85 g/mol
Exact Mass289.04
IUPAC Name5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide
SMILESCCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNOS2/c1-2-16-9-5-3-4-8(9)14-12(15)10-6-7-11(13)17-10/h6-9H,2-5H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyKSXGGUAXENRCPP-DTWKUNHWSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301266
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628
2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide
CID 114219706
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide (CID 95788483) is 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide is CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide?
The InChIKey is KSXGGUAXENRCPP-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H16ClNOS2/c1-2-16-9-5-3-4-8(9)14-12(15)10-6-7-11(13)17-10/h6-9H,2-5H2,1H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide?
5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide has a molecular weight of 289.85 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 95788483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).