2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C13H11N3O4S — CID 5428360

IUPAC2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N/N=C\c1cccs1
InChIInChI=1S/C13H11N3O4S/c17-13(15-14-8-12-2-1-7-21-12)9-20-11-5-3-10(4-6-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8-
InChIKeyAYDYTQVRTWKSCL-ZSOIEALJSA-N
MW305.31 g/mol
LogP2.19
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 5428360) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID5428360
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC Name2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N/N=C\c1cccs1
InChIInChI=1S/C13H11N3O4S/c17-13(15-14-8-12-2-1-7-21-12)9-20-11-5-3-10(4-6-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8-
InChIKeyAYDYTQVRTWKSCL-ZSOIEALJSA-N
XLogP2.19
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.19
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'}

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Related Compounds

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-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide
CID 3392985
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
N-[(Z)-thiophen-2-ylmethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6058187
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
N-[(4-nitrothiophen-2-yl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 1237923
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 6267681
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 5428360) is 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C\c1cccs1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is AYDYTQVRTWKSCL-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H11N3O4S/c17-13(15-14-8-12-2-1-7-21-12)9-20-11-5-3-10(4-6-11)16(18)19/h1-8H,9H2,(H,15,17)/b14-8-.
What are the key properties of 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 305.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5428360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).