N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C17H19N3O4S — CID 46495190

IUPACN-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C17H19N3O4S/c1-11(12-6-7-13(23-2)14(9-12)24-3)19-20-16(21)10-18-17(22)15-5-4-8-25-15/h4-9H,10H2,1-3H3,(H,18,22)(H,20,21)/b19-11+
InChIKeyQIGSUHNEZMZBBZ-YBFXNURJSA-N
MW361.42 g/mol
LogP2.04
Rot. Bonds7

About N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 46495190) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID46495190
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C17H19N3O4S/c1-11(12-6-7-13(23-2)14(9-12)24-3)19-20-16(21)10-18-17(22)15-5-4-8-25-15/h4-9H,10H2,1-3H3,(H,18,22)(H,20,21)/b19-11+
InChIKeyQIGSUHNEZMZBBZ-YBFXNURJSA-N
XLogP2.04
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
1-(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 2952694
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
N-(2-((3,4-Dimethoxyphenethyl)amino)-2-oxoethyl)-5-methylthiophene-2-carboxamide
CID 2537535
[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953417
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3224454
N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)thio]-1,3,4-oxadiazol-2-yl}methyl)thiophene-2-carboxamide
CID 3242430
Cambridge id 6672422
CID 5732752
3,4,5-trimethoxy-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)benzamide
CID 6370872
(Z)-N-(1-(3,4-Dimethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl)thiophene-2-carboxamide
CID 7389374
3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550378

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 46495190) is N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is QIGSUHNEZMZBBZ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11(12-6-7-13(23-2)14(9-12)24-3)19-20-16(21)10-18-17(22)15-5-4-8-25-15/h4-9H,10H2,1-3H3,(H,18,22)(H,20,21)/b19-11+.
What are the key properties of N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46495190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).