N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C16H17N3O3S — CID 46495187

IUPACN-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(12-5-7-13(22-2)8-6-12)18-19-15(20)10-17-16(21)14-4-3-9-23-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-11+
InChIKeyFONDUNJVVLJZRU-WOJGMQOQSA-N
MW331.40 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 46495187) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID46495187
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(12-5-7-13(22-2)8-6-12)18-19-15(20)10-17-16(21)14-4-3-9-23-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-11+
InChIKeyFONDUNJVVLJZRU-WOJGMQOQSA-N
XLogP2.03
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3371205
[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
CID 11451524
7-[4-[3-(Diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56672398
N-[2-(4-methoxyphenyl)ethyl]-1-(2-thienylcarbonyl)-4-piperidinecarboxamide
CID 1075567
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]benzamide
CID 2649382
[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 2871937
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3224454
[3-(2-Hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 5035618
3,4,5-trimethoxy-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)benzamide
CID 6370872
4-{2-[(Benzoylamino)acetyl]carbohydrazonoyl}-2-methoxyphenyl 2-thiophenecarboxylate
CID 9599861
N-[(E)-2-(4-methoxyphenyl)-1-({(2E)-2-[(3-methylthien-2-yl)methylene]hydrazino}carbonyl)vinyl]benzamide
CID 9614094
N-{2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}-2-thiophenecarboxamide
CID 9647635

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 46495187) is N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FONDUNJVVLJZRU-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(12-5-7-13(22-2)8-6-12)18-19-15(20)10-17-16(21)14-4-3-9-23-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-11+.
What are the key properties of N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46495187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).