N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide

C15H13N3O5S — CID 3392985

IUPACN'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide
SMILESO=C(C=Cc1cccs1)NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O5S/c19-14(8-7-13-2-1-9-24-13)16-17-15(20)10-23-12-5-3-11(4-6-12)18(21)22/h1-9H,10H2,(H,16,19)(H,17,20)
InChIKeyWTBQZRBSAJPHBD-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.90
Rot. Bonds6

About N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide

N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide (PubChem CID 3392985) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide
PubChem CID3392985
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC NameN'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide
SMILESO=C(C=Cc1cccs1)NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O5S/c19-14(8-7-13-2-1-9-24-13)16-17-15(20)10-23-12-5-3-11(4-6-12)18(21)22/h1-9H,10H2,(H,16,19)(H,17,20)
InChIKeyWTBQZRBSAJPHBD-UHFFFAOYSA-N
XLogP1.90
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5428360
(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
CID 17195593
N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5208265
N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5116973
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
CID 4958800
(E)-N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187002
2-(4-nitrophenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014093
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(4-nitrophenoxy)acetamide
CID 17014744
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide?
The IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide (CID 3392985) is N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide.
What is the SMILES notation for N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide?
The canonical SMILES for N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide is O=C(C=Cc1cccs1)NNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide?
The InChIKey is WTBQZRBSAJPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c19-14(8-7-13-2-1-9-24-13)16-17-15(20)10-23-12-5-3-11(4-6-12)18(21)22/h1-9H,10H2,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide?
N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide has a molecular weight of 347.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide is sourced from PubChem (CID 3392985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).