ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

C23H18N2O4S2 — CID 90596771

IUPACethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C23H18N2O4S2/c1-2-28-23(27)20-17(18-9-6-12-30-18)14-31-22(20)25-21(26)15-7-5-8-16(13-15)29-19-10-3-4-11-24-19/h3-14H,2H2,1H3,(H,25,26)
InChIKeyNGFBEMGOOHBMCJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.09
Rot. Bonds7

About ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 90596771) has the molecular formula C23H18N2O4S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID90596771
Molecular FormulaC23H18N2O4S2
Molecular Weight450.54 g/mol
Exact Mass450.07
IUPAC Nameethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C23H18N2O4S2/c1-2-28-23(27)20-17(18-9-6-12-30-18)14-31-22(20)25-21(26)15-7-5-8-16(13-15)29-19-10-3-4-11-24-19/h3-14H,2H2,1H3,(H,25,26)
InChIKeyNGFBEMGOOHBMCJ-UHFFFAOYSA-N
XLogP6.09
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-phenyl-2-[(3-pyridin-2-yloxybenzoyl)amino]thiophene-3-carboxylate
CID 90596768
ethyl 2-(1,3-thiazole-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 84560643
ethyl 2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 112797376
ethyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 167902497
ethyl 2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 112766967
ethyl 4-thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 895440
ethyl 2-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 8717649
ethyl 2-(4-aminobutanoylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 82034031
ethyl 4-phenyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 17253080
ethyl 2-[(2-oxochromene-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 2927308
ethyl 2-benzamido-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 2218990
ethyl 2-[[2-[(3-carbamoylphenyl)methyl-methylamino]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 55922308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate (CID 90596771) is ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate is CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is NGFBEMGOOHBMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S2/c1-2-28-23(27)20-17(18-9-6-12-30-18)14-31-22(20)25-21(26)15-7-5-8-16(13-15)29-19-10-3-4-11-24-19/h3-14H,2H2,1H3,(H,25,26).
What are the key properties of ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-pyridin-2-yloxybenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 90596771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).