ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

C17H22N2O5S — CID 1208310

IUPACethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2=O
InChIInChI=1S/C17H22N2O5S/c1-2-24-17(22)14-11-4-3-5-12(20)15(11)25-16(14)18-13(21)10-19-6-8-23-9-7-19/h2-10H2,1H3,(H,18,21)
InChIKeyMXDONPPSVOHUGF-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.71
Rot. Bonds5

About ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate (PubChem CID 1208310) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
PubChem CID1208310
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Nameethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2=O
InChIInChI=1S/C17H22N2O5S/c1-2-24-17(22)14-11-4-3-5-12(20)15(11)25-16(14)18-13(21)10-19-6-8-23-9-7-19/h2-10H2,1H3,(H,18,21)
InChIKeyMXDONPPSVOHUGF-UHFFFAOYSA-N
XLogP1.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-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 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-morpholinoacetamido)-, ethyl ester
CID 44008
2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
CID 98682
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Methyl 2-(3-morpholinopropanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CID 1186776
ethyl 5,5-dimethyl-2-{[3-(morpholin-4-yl)propanoyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
CID 657954
3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester
CID 100701
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((4-morpholinylacetyl)amino)-, ethyl ester
CID 2792074
Ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
CID 658568
4-(4-Methylphenyl)-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 1184248
Ethyl 2-[(ethoxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1825628
ethyl 5-acetyl-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 2080464

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate (CID 1208310) is ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2=O.
What is the InChIKey of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate?
The InChIKey is MXDONPPSVOHUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-2-24-17(22)14-11-4-3-5-12(20)15(11)25-16(14)18-13(21)10-19-6-8-23-9-7-19/h2-10H2,1H3,(H,18,21).
What are the key properties of ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate?
ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-morpholin-4-ylacetyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 1208310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).