N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C15H16N2O2S — CID 6911538

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2cc3c(s2)CCCC3)o1
InChIInChI=1S/C15H16N2O2S/c1-10-6-7-12(19-10)9-16-17-15(18)14-8-11-4-2-3-5-13(11)20-14/h6-9H,2-5H2,1H3,(H,17,18)/b16-9+
InChIKeyREIYAJVNWHCPLQ-CXUHLZMHSA-N
MW288.37 g/mol
LogP3.29
Rot. Bonds3

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 6911538) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID6911538
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2cc3c(s2)CCCC3)o1
InChIInChI=1S/C15H16N2O2S/c1-10-6-7-12(19-10)9-16-17-15(18)14-8-11-4-2-3-5-13(11)20-14/h6-9H,2-5H2,1H3,(H,17,18)/b16-9+
InChIKeyREIYAJVNWHCPLQ-CXUHLZMHSA-N
XLogP3.29
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.29
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)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6883520
5-methyl-N'-[(5-methyl-2-furyl)methylene]-3-thiophenecarbohydrazide
CID 9563602
(E)-N'-((5-methylfuran-2-yl)methylene)-2-(thiophen-2-yl)acetohydrazide
CID 5390357
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
4-(cyclopentyloxy)-N'-[(5-ethyl-2-thienyl)methylene]benzohydrazide
CID 6875154
N'-(2-furylmethylene)-4,5-dimethyl-3-thiophenecarbohydrazide
CID 9618108
N'-(2-furylmethylene)-2-thiophenecarbohydrazide
CID 6867869
N'-[(5-methyl-2-furyl)methylene]-2-thiophenecarbohydrazide
CID 5390299
2-{[(E)-(5-methylfuran-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 9599223
(E)-N'-(4-Methoxybenzylidene)thiophene-2-carbohydrazide
CID 6870356

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 6911538) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is Cc1ccc(/C=N/NC(=O)c2cc3c(s2)CCCC3)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is REIYAJVNWHCPLQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-6-7-12(19-10)9-16-17-15(18)14-8-11-4-2-3-5-13(11)20-14/h6-9H,2-5H2,1H3,(H,17,18)/b16-9+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 6911538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).