N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide

C18H18N2O2S — CID 911747

IUPACN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide
SMILESCC1(C)Cc2c(sc(NC(=O)Cc3ccccc3)c2C#N)CO1
InChIInChI=1S/C18H18N2O2S/c1-18(2)9-13-14(10-19)17(23-15(13)11-22-18)20-16(21)8-12-6-4-3-5-7-12/h3-7H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyCZHLXWTUWNFEMU-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.65
Rot. Bonds3

About N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide

N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide (PubChem CID 911747) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide
PubChem CID911747
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide
SMILESCC1(C)Cc2c(sc(NC(=O)Cc3ccccc3)c2C#N)CO1
InChIInChI=1S/C18H18N2O2S/c1-18(2)9-13-14(10-19)17(23-15(13)11-22-18)20-16(21)8-12-6-4-3-5-7-12/h3-7H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyCZHLXWTUWNFEMU-UHFFFAOYSA-N
XLogP3.65
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide?
The IUPAC name of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide (CID 911747) is N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide is CC1(C)Cc2c(sc(NC(=O)Cc3ccccc3)c2C#N)CO1.
What is the InChIKey of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide?
The InChIKey is CZHLXWTUWNFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-18(2)9-13-14(10-19)17(23-15(13)11-22-18)20-16(21)8-12-6-4-3-5-7-12/h3-7H,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide?
N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide has a molecular weight of 326.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-phenylacetamide is sourced from PubChem (CID 911747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).