ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate

C20H20N2O3S — CID 18287759

IUPACethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3S/c1-2-25-20(24)18-15(12-7-8-12)11-26-19(18)22-17(23)9-13-10-21-16-6-4-3-5-14(13)16/h3-6,10-12,21H,2,7-9H2,1H3,(H,22,23)
InChIKeyKCMOLKKJMVGBOY-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.46
Rot. Bonds6

About ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 18287759) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID18287759
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O3S/c1-2-25-20(24)18-15(12-7-8-12)11-26-19(18)22-17(23)9-13-10-21-16-6-4-3-5-14(13)16/h3-6,10-12,21H,2,7-9H2,1H3,(H,22,23)
InChIKeyKCMOLKKJMVGBOY-UHFFFAOYSA-N
XLogP4.46
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]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 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 4-cyclopropyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate
CID 8689038
ethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 8900758
ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55445963
ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2627168
ethyl 4-cyclopropyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 27687072
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
ethyl 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 8895695
ethyl 4-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]thiophene-3-carboxylate
CID 78908249
ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 8919558

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate (CID 18287759) is ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is KCMOLKKJMVGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-25-20(24)18-15(12-7-8-12)11-26-19(18)22-17(23)9-13-10-21-16-6-4-3-5-14(13)16/h3-6,10-12,21H,2,7-9H2,1H3,(H,22,23).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 18287759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).