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

C15H14N2O3S — CID 651143

IUPACN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)CO1
InChIInChI=1S/C15H14N2O3S/c1-15(2)6-9-10(7-16)14(21-12(9)8-20-15)17-13(18)11-4-3-5-19-11/h3-5H,6,8H2,1-2H3,(H,17,18)
InChIKeyPUDAVCOWIIQGCB-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.32
Rot. Bonds2

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

N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide (PubChem CID 651143) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide
PubChem CID651143
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC NameN-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)CO1
InChIInChI=1S/C15H14N2O3S/c1-15(2)6-9-10(7-16)14(21-12(9)8-20-15)17-13(18)11-4-3-5-19-11/h3-5H,6,8H2,1-2H3,(H,17,18)
InChIKeyPUDAVCOWIIQGCB-UHFFFAOYSA-N
XLogP3.32
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)furan-2-carboxamide?
The IUPAC name of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide (CID 651143) is N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide is CC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)CO1.
What is the InChIKey of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide?
The InChIKey is PUDAVCOWIIQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-15(2)6-9-10(7-16)14(21-12(9)8-20-15)17-13(18)11-4-3-5-19-11/h3-5H,6,8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide?
N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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)furan-2-carboxamide is sourced from PubChem (CID 651143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).