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

C18H18N2O2S — CID 772496

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1C
InChIInChI=1S/C18H18N2O2S/c1-11-6-7-13(8-12(11)2)22-10-17(21)20-18-15(9-19)14-4-3-5-16(14)23-18/h6-8H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyOWOAJQSVWWBCHY-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.74
Rot. Bonds4

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 772496) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID772496
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1C
InChIInChI=1S/C18H18N2O2S/c1-11-6-7-13(8-12(11)2)22-10-17(21)20-18-15(9-19)14-4-3-5-16(14)23-18/h6-8H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyOWOAJQSVWWBCHY-UHFFFAOYSA-N
XLogP3.74
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.74
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-4-(4-methoxyphenyl)-5-methyl-2-thienyl]butanamide
CID 1245437
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-naphthalen-1-yloxyacetamide
CID 1394220
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-tert-butylphenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 2790261
(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-o-tolyloxy-acetamide
CID 1720947

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide (CID 772496) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1C.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is OWOAJQSVWWBCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-6-7-13(8-12(11)2)22-10-17(21)20-18-15(9-19)14-4-3-5-16(14)23-18/h6-8H,3-5,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.74, 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-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 772496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).