2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide

C15H15N3O4S — CID 6267681

IUPAC2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cs2)cc1
InChIInChI=1S/C15H15N3O4S/c1-2-11-3-5-13(6-4-11)22-9-15(19)17-16-8-14-7-12(10-23-14)18(20)21/h3-8,10H,2,9H2,1H3,(H,17,19)/b16-8-
InChIKeyWOEKQDDRIMTJBM-PXNMLYILSA-N
MW333.37 g/mol
LogP2.75
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide

2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide (PubChem CID 6267681) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide
PubChem CID6267681
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cs2)cc1
InChIInChI=1S/C15H15N3O4S/c1-2-11-3-5-13(6-4-11)22-9-15(19)17-16-8-14-7-12(10-23-14)18(20)21/h3-8,10H,2,9H2,1H3,(H,17,19)/b16-8-
InChIKeyWOEKQDDRIMTJBM-PXNMLYILSA-N
XLogP2.75
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-nitrothiophen-2-yl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 1237923
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5428360
N-[(E)-(4-nitrothiophen-2-yl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 46502150
N-[(E)-(4-nitrothiophen-2-yl)methylideneamino]-4-prop-2-enoxybenzamide
CID 46502154
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
2-(4-nitrophenoxy)-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 3369130
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6873068
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide (CID 6267681) is 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide is CCc1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cs2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide?
The InChIKey is WOEKQDDRIMTJBM-PXNMLYILSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-2-11-3-5-13(6-4-11)22-9-15(19)17-16-8-14-7-12(10-23-14)18(20)21/h3-8,10H,2,9H2,1H3,(H,17,19)/b16-8-.
What are the key properties of 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide?
2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide has a molecular weight of 333.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6267681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).