N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide

C12H13NO2S — CID 19585268

IUPACN-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)sc1C
InChIInChI=1S/C12H13NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyDCTXCUPLONIUFJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.89
Rot. Bonds3

About N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide

N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 19585268) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID19585268
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)sc1C
InChIInChI=1S/C12H13NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyDCTXCUPLONIUFJ-UHFFFAOYSA-N
XLogP2.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
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
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 5844207
Furan-2-yl-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 25163808
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-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 1082885
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
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)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide (CID 19585268) is N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccco2)sc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is DCTXCUPLONIUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide?
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 19585268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).