ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate

C23H24N2O5S2 — CID 24556857

IUPACethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C23H24N2O5S2/c1-3-30-23(28)20-18(15-6-8-17(29-2)9-7-15)14-32-22(20)25-19(26)5-4-11-24-21(27)16-10-12-31-13-16/h6-10,12-14H,3-5,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyHQSFSJOBQUATLA-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.81
Rot. Bonds10

About ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate

ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate (PubChem CID 24556857) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate
PubChem CID24556857
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Nameethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C23H24N2O5S2/c1-3-30-23(28)20-18(15-6-8-17(29-2)9-7-15)14-32-22(20)25-19(26)5-4-11-24-21(27)16-10-12-31-13-16/h6-10,12-14H,3-5,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyHQSFSJOBQUATLA-UHFFFAOYSA-N
XLogP4.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 19184052
[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxoethyl]-diethylazanium
CID 2108169
ethyl 4-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1354018
methyl 2-(butanoylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 2241721
methyl 4,5-dimethyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate
CID 78802955
ethyl 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 84561309
ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 55542457
ethyl 2-[[2-(cyclopropanecarbonyloxy)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 7863303
ethyl 4-(4-methoxyphenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate
CID 19188444
4-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 40573892
ethyl 2-(pentanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
CID 28693136
ethyl 2-(dodecanoylamino)-4-phenylthiophene-3-carboxylate
CID 3474274

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate (CID 24556857) is ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCCNC(=O)c1ccsc1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate?
The InChIKey is HQSFSJOBQUATLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-3-30-23(28)20-18(15-6-8-17(29-2)9-7-15)14-32-22(20)25-19(26)5-4-11-24-21(27)16-10-12-31-13-16/h6-10,12-14H,3-5,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate?
ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate has a molecular weight of 472.59 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 24556857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).