N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C17H13F3N2O2S — CID 4637032

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESN#Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCC2
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)10-3-1-4-11(7-10)24-9-15(23)22-16-13(8-21)12-5-2-6-14(12)25-16/h1,3-4,7H,2,5-6,9H2,(H,22,23)
InChIKeyWOCRSDVGVROMNK-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.14
Rot. Bonds4

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 4637032) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID4637032
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESN#Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCC2
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)10-3-1-4-11(7-10)24-9-15(23)22-16-13(8-21)12-5-2-6-14(12)25-16/h1,3-4,7H,2,5-6,9H2,(H,22,23)
InChIKeyWOCRSDVGVROMNK-UHFFFAOYSA-N
XLogP4.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-m-tolyloxy-acetamide
CID 924827
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenoxyacetamide
CID 775619
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylphenoxy)acetamide
CID 958574
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188913
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-methylphenoxy)acetamide
CID 1420660
2-(2-chloro-5-methylphenoxy)-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide
CID 2225455
(E)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 168298029
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenoxyacetamide
CID 871259
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 772496
N-(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-o-tolyloxy-acetamide
CID 1720947
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-phenoxyacetamide
CID 1149347

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 4637032) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is N#Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is WOCRSDVGVROMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)10-3-1-4-11(7-10)24-9-15(23)22-16-13(8-21)12-5-2-6-14(12)25-16/h1,3-4,7H,2,5-6,9H2,(H,22,23).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 366.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 4637032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).