3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide

C14H18ClNOS — CID 95972451

IUPAC3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
SMILESCCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNOS/c1-2-18-13-8-4-7-12(13)16-14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-13H,2,4,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyPFFFREGSLOBSEH-CHWSQXEVSA-N
MW283.82 g/mol
LogP3.74
Rot. Bonds4

About 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide

3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide (PubChem CID 95972451) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
PubChem CID95972451
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
SMILESCCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNOS/c1-2-18-13-8-4-7-12(13)16-14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-13H,2,4,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyPFFFREGSLOBSEH-CHWSQXEVSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
CID 103747794
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide
CID 95788483
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide?
The IUPAC name of 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide (CID 95972451) is 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide is CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide?
The InChIKey is PFFFREGSLOBSEH-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-2-18-13-8-4-7-12(13)16-14(17)10-5-3-6-11(15)9-10/h3,5-6,9,12-13H,2,4,7-8H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide?
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide has a molecular weight of 283.82 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide is sourced from PubChem (CID 95972451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).