5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate

C17H17N2O4S- — CID 8826467

IUPAC5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate
SMILESCCc1ccc(OCC(=O)N/N=C(/C)c2ccc(C(=O)[O-])s2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-12-4-6-13(7-5-12)23-10-16(20)19-18-11(2)14-8-9-15(24-14)17(21)22/h4-9H,3,10H2,1-2H3,(H,19,20)(H,21,22)/p-1/b18-11-
InChIKeyLVBZGFIZOVYSEI-WQRHYEAKSA-M
MW345.40 g/mol
LogP1.59
Rot. Bonds7

About 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate

5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate (PubChem CID 8826467) has the molecular formula C17H17N2O4S- and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate
PubChem CID8826467
Molecular FormulaC17H17N2O4S-
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate
SMILESCCc1ccc(OCC(=O)N/N=C(/C)c2ccc(C(=O)[O-])s2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-12-4-6-13(7-5-12)23-10-16(20)19-18-11(2)14-8-9-15(24-14)17(21)22/h4-9H,3,10H2,1-2H3,(H,19,20)(H,21,22)/p-1/b18-11-
InChIKeyLVBZGFIZOVYSEI-WQRHYEAKSA-M
XLogP1.59
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
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'}

Analyze 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate 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

2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
5-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826478
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6176429
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 135722958
N-[1-(4-ethylphenyl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3954033
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357688
5-[(Z)-N-[[2-(2,6-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8860547

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate?
The IUPAC name of 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate (CID 8826467) is 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate.
What is the SMILES notation for 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate?
The canonical SMILES for 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate is CCc1ccc(OCC(=O)N/N=C(/C)c2ccc(C(=O)[O-])s2)cc1.
What is the InChIKey of 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate?
The InChIKey is LVBZGFIZOVYSEI-WQRHYEAKSA-M. The full InChI is InChI=1S/C17H18N2O4S/c1-3-12-4-6-13(7-5-12)23-10-16(20)19-18-11(2)14-8-9-15(24-14)17(21)22/h4-9H,3,10H2,1-2H3,(H,19,20)(H,21,22)/p-1/b18-11-.
What are the key properties of 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate?
5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate is sourced from PubChem (CID 8826467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).