N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide

C16H15N3O2S — CID 2847033

IUPACN-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NN=CC=Cc1ccccc1
InChIInChI=1S/C16H15N3O2S/c20-15(12-17-16(21)14-9-5-11-22-14)19-18-10-4-8-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,21)(H,19,20)
InChIKeyRRHVFVRHHNOLCZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 2847033) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID2847033
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NN=CC=Cc1ccccc1
InChIInChI=1S/C16H15N3O2S/c20-15(12-17-16(21)14-9-5-11-22-14)19-18-10-4-8-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,21)(H,19,20)
InChIKeyRRHVFVRHHNOLCZ-UHFFFAOYSA-N
XLogP2.29
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide
CID 3859699
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2,2-diphenylacetamide
CID 4598701
2-[(2-phenoxyacetyl)amino]-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 11979311
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 6869036
1,3-bis(cinnamylideneamino)urea
CID 2823909
2-[[2-(2-methylphenoxy)acetyl]amino]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6875330
N-[2-[2-[2-[(2-benzamidoacetyl)hydrazinylidene]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4082934
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide (CID 2847033) is N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NN=CC=Cc1ccccc1.
What is the InChIKey of N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is RRHVFVRHHNOLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15(12-17-16(21)14-9-5-11-22-14)19-18-10-4-8-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,21)(H,19,20).
What are the key properties of N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2847033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).