ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate

C21H26N2O4S — CID 8797175

IUPACethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN(C)CCOc1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-3-26-21(25)19-17(15-9-10-15)14-28-20(19)22-18(24)13-23(2)11-12-27-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,24)
InChIKeyRIWJQERICATOHH-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.75
Rot. Bonds10

About ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate (PubChem CID 8797175) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate
PubChem CID8797175
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Nameethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CN(C)CCOc1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-3-26-21(25)19-17(15-9-10-15)14-28-20(19)22-18(24)13-23(2)11-12-27-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,24)
InChIKeyRIWJQERICATOHH-UHFFFAOYSA-N
XLogP3.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]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-[benzyl(methyl)amino]acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 8900758
ethyl 4-cyclopropyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate
CID 8689038
ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 4-cyclopropyl-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate
CID 52897079
ethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 55755588
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-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 18287759
ethyl 4-cyclopropyl-2-[[2-(2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 7819088
ethyl 4-cyclopropyl-2-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8019991
ethyl 4-cyclopropyl-2-[[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55845490
ethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-cyclopropylthiophene-3-carboxylate
CID 18274324

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate (CID 8797175) is ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)CN(C)CCOc1ccccc1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is RIWJQERICATOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-26-21(25)19-17(15-9-10-15)14-28-20(19)22-18(24)13-23(2)11-12-27-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,24).
What are the key properties of ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 402.52 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 8797175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).