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

C17H15ClN2O2S — CID 3154710

IUPAC2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C17H15ClN2O2S/c1-10-7-11(18)5-6-14(10)22-9-16(21)20-17-13(8-19)12-3-2-4-15(12)23-17/h5-7H,2-4,9H2,1H3,(H,20,21)
InChIKeyCRKCAQMLKHCFKA-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.09
Rot. Bonds4

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

2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide (PubChem CID 3154710) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
PubChem CID3154710
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C17H15ClN2O2S/c1-10-7-11(18)5-6-14(10)22-9-16(21)20-17-13(8-19)12-3-2-4-15(12)23-17/h5-7H,2-4,9H2,1H3,(H,20,21)
InChIKeyCRKCAQMLKHCFKA-UHFFFAOYSA-N
XLogP4.09
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide (CID 3154710) is 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The InChIKey is CRKCAQMLKHCFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-10-7-11(18)5-6-14(10)22-9-16(21)20-17-13(8-19)12-3-2-4-15(12)23-17/h5-7H,2-4,9H2,1H3,(H,20,21).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide is sourced from PubChem (CID 3154710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).