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

C16H25ClN2O4S — CID 119677224

IUPACethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(NC(=O)CC2CNCCO2)sc(C)c1CC.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-4-12-10(3)23-15(14(12)16(20)21-5-2)18-13(19)8-11-9-17-6-7-22-11;/h11,17H,4-9H2,1-3H3,(H,18,19);1H
InChIKeyUWMRWXIZLZXTAG-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.53
Rot. Bonds6

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

ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride (PubChem CID 119677224) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride
PubChem CID119677224
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Nameethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(NC(=O)CC2CNCCO2)sc(C)c1CC.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-4-12-10(3)23-15(14(12)16(20)21-5-2)18-13(19)8-11-9-17-6-7-22-11;/h11,17H,4-9H2,1-3H3,(H,18,19);1H
InChIKeyUWMRWXIZLZXTAG-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride with MolForge

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Related Compounds

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N-[(5-ethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
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N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
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ethyl 2-[[2-(2,4-dihydroxybenzoyl)oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride (CID 119677224) is ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride is CCOC(=O)c1c(NC(=O)CC2CNCCO2)sc(C)c1CC.Cl.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride?
The InChIKey is UWMRWXIZLZXTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S.ClH/c1-4-12-10(3)23-15(14(12)16(20)21-5-2)18-13(19)8-11-9-17-6-7-22-11;/h11,17H,4-9H2,1-3H3,(H,18,19);1H.
What are the key properties of ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride?
ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride is sourced from PubChem (CID 119677224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).