N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide

C14H14N2O2S — CID 6842495

IUPACN-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NN=CC=Cc2ccco2)c1C
InChIInChI=1S/C14H14N2O2S/c1-10-11(2)19-9-13(10)14(17)16-15-7-3-5-12-6-4-8-18-12/h3-9H,1-2H3,(H,16,17)
InChIKeyNPPZINKTYSKVRO-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.39
Rot. Bonds4

About N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide

N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 6842495) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID6842495
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NN=CC=Cc2ccco2)c1C
InChIInChI=1S/C14H14N2O2S/c1-10-11(2)19-9-13(10)14(17)16-15-7-3-5-12-6-4-8-18-12/h3-9H,1-2H3,(H,16,17)
InChIKeyNPPZINKTYSKVRO-UHFFFAOYSA-N
XLogP3.39
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6883391
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 129432020
N-[(Z)-1-(furan-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6368374
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide
CID 40989624
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634
N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 5412225
N-[(E)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6875053
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide (CID 6842495) is N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(=O)NN=CC=Cc2ccco2)c1C.
What is the InChIKey of N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NPPZINKTYSKVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-11(2)19-9-13(10)14(17)16-15-7-3-5-12-6-4-8-18-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide?
N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 6842495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).