N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C14H14N2O2S — CID 6883520

IUPACN-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1csc2c1CCCC2
InChIInChI=1S/C14H14N2O2S/c17-14(16-15-8-10-4-3-7-18-10)12-9-19-13-6-2-1-5-11(12)13/h3-4,7-9H,1-2,5-6H2,(H,16,17)/b15-8+
InChIKeySTQWEQZSVMWPAL-OVCLIPMQSA-N
MW274.34 g/mol
LogP2.98
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 6883520) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID6883520
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1csc2c1CCCC2
InChIInChI=1S/C14H14N2O2S/c17-14(16-15-8-10-4-3-7-18-10)12-9-19-13-6-2-1-5-11(12)13/h3-4,7-9H,1-2,5-6H2,(H,16,17)/b15-8+
InChIKeySTQWEQZSVMWPAL-OVCLIPMQSA-N
XLogP2.98
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.98
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-furylmethylene)-5-isopropyl-3-thiophenecarbohydrazide
CID 9563603
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 6911538
N'-(3-(2-Furyl)-2-propenylidene)-2-thiophenecarbohydrazide
CID 6865118
5-methyl-N'-[(5-methyl-2-furyl)methylene]-3-thiophenecarbohydrazide
CID 9563602
Thiophen-2-yl-acetic acid (3-furan-2-yl-2-methyl-allylidene)-hydrazide
CID 9594520
N'-[1-(2-furyl)ethylidene]-4,5-dimethyl-3-thiophenecarbohydrazide
CID 5412326
N'-(4-butoxybenzylidene)-4,5-dimethyl-3-thiophenecarbohydrazide
CID 6875049
4-ethyl-5-methyl-N'-[(5-methyl-2-furyl)methylene]-3-thiophenecarbohydrazide
CID 9563592
N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]thiophene-2-carbohydrazide
CID 6865134
N'-[(E)-2-furylmethylidene]-2-(2-thienyl)acetohydrazide
CID 6869206
N'-(2-furylmethylene)-4,5-dimethyl-3-thiophenecarbohydrazide
CID 9618108
N'-[(1E,2Z)-3-(2-furyl)prop-2-enylidene]thiophene-2-carbohydrazide
CID 6865117

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 6883520) is N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(N/N=C/c1ccco1)c1csc2c1CCCC2.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is STQWEQZSVMWPAL-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-14(16-15-8-10-4-3-7-18-10)12-9-19-13-6-2-1-5-11(12)13/h3-4,7-9H,1-2,5-6H2,(H,16,17)/b15-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 6883520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).