ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate

C20H24N2O4S — CID 60509873

IUPACethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(CCO)C1CC1
InChIInChI=1S/C20H24N2O4S/c1-2-26-20(25)19-16(12-17(27-19)14-6-4-3-5-7-14)21-18(24)13-22(10-11-23)15-8-9-15/h3-7,12,15,23H,2,8-11,13H2,1H3,(H,21,24)
InChIKeyGIIVGRPUQIMDPK-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.99
Rot. Bonds9

About ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate

ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate (PubChem CID 60509873) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate
PubChem CID60509873
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Nameethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(CCO)C1CC1
InChIInChI=1S/C20H24N2O4S/c1-2-26-20(25)19-16(12-17(27-19)14-6-4-3-5-7-14)21-18(24)13-22(10-11-23)15-8-9-15/h3-7,12,15,23H,2,8-11,13H2,1H3,(H,21,24)
InChIKeyGIIVGRPUQIMDPK-UHFFFAOYSA-N
XLogP2.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-O-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504581
ethyl 3-[[2-(5-acetylthiophene-2-carbonyl)oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 46659732
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate
CID 2654063
ethyl 3-[[2-[(E)-but-2-enoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 7698941
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8609411
ethyl 3-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 16530589
ethyl 3-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 41139431
ethyl 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-phenylthiophene-2-carboxylate
CID 41324904
ethyl 3-[[2-[(2S)-2-phenoxypropanoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 2103912
ethyl 5-phenyl-3-[[2-[2-[(2-phenylacetyl)amino]acetyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 30195276
ethyl 3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 2120556
ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
CID 16837962

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate (CID 60509873) is ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(CCO)C1CC1.
What is the InChIKey of ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is GIIVGRPUQIMDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-26-20(25)19-16(12-17(27-19)14-6-4-3-5-7-14)21-18(24)13-22(10-11-23)15-8-9-15/h3-7,12,15,23H,2,8-11,13H2,1H3,(H,21,24).
What are the key properties of ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate?
ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 388.49 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 60509873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).