ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate

C16H23N3O5S — CID 2466994

IUPACethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C(=O)NC)c1C
InChIInChI=1S/C16H23N3O5S/c1-4-24-16(22)12-10(2)13(14(21)17-3)25-15(12)18-11(20)9-19-5-7-23-8-6-19/h4-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyYQDHXQSYLIEBST-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.86
Rot. Bonds6

About ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate

ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 2466994) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID2466994
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Nameethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C(=O)NC)c1C
InChIInChI=1S/C16H23N3O5S/c1-4-24-16(22)12-10(2)13(14(21)17-3)25-15(12)18-11(20)9-19-5-7-23-8-6-19/h4-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyYQDHXQSYLIEBST-UHFFFAOYSA-N
XLogP0.86
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
Ethyl 2-[(4-morpholinylacetyl)amino]-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1208310
Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-6-acetyl-6-amino-, ethyl ester
CID 212358
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Ethyl 2-{[(tert-butylamino)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 2810964
Ethyl 4,5-dimethyl-2-[(morpholinocarbothioyl)amino]-3-thiophenecarboxylate
CID 2816737
3-Amino-5-methyl-4-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-thiophenecarboxylic acid ethyl ester
CID 658837
Dimethyl 5-isobutyramido-3-methylthiophene-2,4-dicarboxylate
CID 662211
ethyl 2-[(N-butylglycyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1657161
Methyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(propanoylamino)propan-2-yl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3237688

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate (CID 2466994) is ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C(=O)NC)c1C.
What is the InChIKey of ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is YQDHXQSYLIEBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-4-24-16(22)12-10(2)13(14(21)17-3)25-15(12)18-11(20)9-19-5-7-23-8-6-19/h4-9H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2466994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).