N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide

C17H19N3O2S — CID 661197

IUPACN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)C(C)(C)N1
InChIInChI=1S/C17H19N3O2S/c1-16(2)8-10-11(9-18)15(23-13(10)17(3,4)20-16)19-14(21)12-6-5-7-22-12/h5-7,20H,8H2,1-4H3,(H,19,21)
InChIKeyCRWUNCZENBXURR-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.62
Rot. Bonds2

About N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide (PubChem CID 661197) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
PubChem CID661197
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)C(C)(C)N1
InChIInChI=1S/C17H19N3O2S/c1-16(2)8-10-11(9-18)15(23-13(10)17(3,4)20-16)19-14(21)12-6-5-7-22-12/h5-7,20H,8H2,1-4H3,(H,19,21)
InChIKeyCRWUNCZENBXURR-UHFFFAOYSA-N
XLogP3.62
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide with MolForge

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 902868
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 673534
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)furan-2-carboxamide
CID 793579
Cbr-5884
CID 4674993
N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 699928
N-(4-phenylthiophen-2-yl)furan-2-carboxamide
CID 699965
N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]furan-2-carboxamide
CID 2235821
Methyl 4-cyano-5-(2-furoylamino)-3-methyl-2-thiophenecarboxylate
CID 3150558
N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 7190235
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
Isopropyl 2-(2-furoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 673536
N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-2-furamide
CID 651143

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide (CID 661197) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide is CC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)C(C)(C)N1.
What is the InChIKey of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide?
The InChIKey is CRWUNCZENBXURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-16(2)8-10-11(9-18)15(23-13(10)17(3,4)20-16)19-14(21)12-6-5-7-22-12/h5-7,20H,8H2,1-4H3,(H,19,21).
What are the key properties of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide?
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 661197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).