ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate

C19H22N2O4S — CID 2654063

IUPACethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-2-25-19(23)18-15(12-16(26-18)14-6-4-3-5-7-14)20-17(22)13-21-8-10-24-11-9-21/h3-7,12H,2,8-11,13H2,1H3,(H,20,22)
InChIKeyVJKRFUYOFHBDAE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.86
Rot. Bonds6

About ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate

ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate (PubChem CID 2654063) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate
PubChem CID2654063
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Nameethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-2-25-19(23)18-15(12-16(26-18)14-6-4-3-5-7-14)20-17(22)13-21-8-10-24-11-9-21/h3-7,12H,2,8-11,13H2,1H3,(H,20,22)
InChIKeyVJKRFUYOFHBDAE-UHFFFAOYSA-N
XLogP2.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8609411
2-O-[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504581
ethyl 3-[[2-[(E)-but-2-enoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 7698941
ethyl 3-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 16530589
ethyl 5-ethyl-3-(3-morpholin-4-ylpropanoylamino)thiophene-2-carboxylate
CID 171980451
ethyl 3-[[2-(5-acetylthiophene-2-carbonyl)oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 46659732
ethyl 3-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 41139431
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-(2-thiophen-2-ylacetyl)oxyacetyl]amino]thiophene-2-carboxylate
CID 18267403
ethyl 3-[[2-[(2S)-2-phenoxypropanoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 2103912
ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 60509873
ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 41105105

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate (CID 2654063) is ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is VJKRFUYOFHBDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-25-19(23)18-15(12-16(26-18)14-6-4-3-5-7-14)20-17(22)13-21-8-10-24-11-9-21/h3-7,12H,2,8-11,13H2,1H3,(H,20,22).
What are the key properties of ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate?
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 2654063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).