ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate

C24H22N2O7S — CID 3575199

IUPACethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C24H22N2O7S/c1-2-31-24(30)20-16(14-9-10-14)13-34-22(20)26-19(27)12-33-23(29)15-6-3-4-7-17(15)25-21(28)18-8-5-11-32-18/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyDKKQAFLNILVXDV-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.44
Rot. Bonds9

About ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 3575199) has the molecular formula C24H22N2O7S and a molecular weight of 482.51 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID3575199
Molecular FormulaC24H22N2O7S
Molecular Weight482.51 g/mol
Exact Mass482.11
IUPAC Nameethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C24H22N2O7S/c1-2-31-24(30)20-16(14-9-10-14)13-34-22(20)26-19(27)12-33-23(29)15-6-3-4-7-17(15)25-21(28)18-8-5-11-32-18/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyDKKQAFLNILVXDV-UHFFFAOYSA-N
XLogP4.44
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-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

ethyl 4-cyclopropyl-2-[[2-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 3988289
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 8919558
ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2627168
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
ethyl 4-cyclopropyl-2-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8019991
[2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554193
ethyl 4-cyclopropyl-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate
CID 52897079
ethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 8900758
[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440293
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate (CID 3575199) is ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is DKKQAFLNILVXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7S/c1-2-31-24(30)20-16(14-9-10-14)13-34-22(20)26-19(27)12-33-23(29)15-6-3-4-7-17(15)25-21(28)18-8-5-11-32-18/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 482.51 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 3575199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).