N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C12H11NO2S2 — CID 3238147

IUPACN-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(s1)CSC2
InChIInChI=1S/C12H11NO2S2/c14-12(13-5-9-2-1-3-15-9)10-4-8-6-16-7-11(8)17-10/h1-4H,5-7H2,(H,13,14)
InChIKeyJJKLUPLZOHTREM-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.02
Rot. Bonds3

About N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 3238147) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID3238147
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC NameN-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(s1)CSC2
InChIInChI=1S/C12H11NO2S2/c14-12(13-5-9-2-1-3-15-9)10-4-8-6-16-7-11(8)17-10/h1-4H,5-7H2,(H,13,14)
InChIKeyJJKLUPLZOHTREM-UHFFFAOYSA-N
XLogP3.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
4-bromo-5-ethyl-N-(2-furylmethyl)-2-thiophenecarboxamide
CID 1247646
1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2168157
N-Furan-2-ylmethyl-2-phenylsulfanyl-acetamide
CID 800685
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
Furan-2-carboxylic acid (cyclohexylcarbamoyl-thiophen-2-yl-methyl)-thiophen-2-ylmethyl-amide
CID 654363
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 663691
2-Cyano-N-furan-2-ylmethyl-3-(3-methyl-thiophen-2-yl)-acrylamide
CID 759842

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 3238147) is N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is O=C(NCc1ccco1)c1cc2c(s1)CSC2.
What is the InChIKey of N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is JJKLUPLZOHTREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c14-12(13-5-9-2-1-3-15-9)10-4-8-6-16-7-11(8)17-10/h1-4H,5-7H2,(H,13,14).
What are the key properties of N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 3238147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).