N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide

C15H14N2O2S — CID 6861722

IUPACN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1cccs1
InChIInChI=1S/C15H14N2O2S/c1-19-13-8-3-2-6-12(13)7-4-10-16-17-15(18)14-9-5-11-20-14/h2-11H,1H3,(H,17,18)/b7-4+,16-10+
InChIKeyCTPIXHQGQQOTHF-LVVPDBGKSA-N
MW286.36 g/mol
LogP3.19
Rot. Bonds5

About N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide

N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide (PubChem CID 6861722) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
PubChem CID6861722
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
SMILESCOc1ccccc1/C=C/C=N/NC(=O)c1cccs1
InChIInChI=1S/C15H14N2O2S/c1-19-13-8-3-2-6-12(13)7-4-10-16-17-15(18)14-9-5-11-20-14/h2-11H,1H3,(H,17,18)/b7-4+,16-10+
InChIKeyCTPIXHQGQQOTHF-LVVPDBGKSA-N
XLogP3.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.19
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-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 6880401
N'-(4-hydroxy-3-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 135641355
N'-(2-hydroxybenzylidene)-2-thiophenecarbohydrazide
CID 135472553
4-methoxy-N'-(2-thienylacetyl)benzohydrazide
CID 748727
N'-[2-(2-methoxyphenyl)acetyl]thiophene-2-carbohydrazide
CID 809222
4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide
CID 5403292
(2E)-2-{[(thiophen-2-yl)formamido]imino}-2H-chromene-3-carboxamide
CID 6056754
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6880233
N'-(3-(2-Methoxyphenyl)-2-propenylidene)-2-(2-thienyl)acetohydrazide
CID 1554133
N'-[4-(benzyloxy)benzylidene]-2-thiophenecarbohydrazide
CID 6878737
5-methyl-N'-[(5-methyl-2-furyl)methylene]-3-thiophenecarbohydrazide
CID 9563602
N'-[3-(benzyloxy)benzylidene]-2-thiophenecarbohydrazide
CID 9579820

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide (CID 6861722) is N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide is COc1ccccc1/C=C/C=N/NC(=O)c1cccs1.
What is the InChIKey of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide?
The InChIKey is CTPIXHQGQQOTHF-LVVPDBGKSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-13-8-3-2-6-12(13)7-4-10-16-17-15(18)14-9-5-11-20-14/h2-11H,1H3,(H,17,18)/b7-4+,16-10+.
What are the key properties of N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide?
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 6861722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).