ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride

C17H27ClN2O4S — CID 119677212

IUPACethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(NC(=O)CNCC2CCCO2)sc(C)c1CC.Cl
InChIInChI=1S/C17H26N2O4S.ClH/c1-4-13-11(3)24-16(15(13)17(21)22-5-2)19-14(20)10-18-9-12-7-6-8-23-12;/h12,18H,4-10H2,1-3H3,(H,19,20);1H
InChIKeySGGLSZJCOAXSAD-UHFFFAOYSA-N
MW390.93 g/mol
LogP2.92
Rot. Bonds8

About ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride

ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride (PubChem CID 119677212) has the molecular formula C17H27ClN2O4S and a molecular weight of 390.93 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride
PubChem CID119677212
Molecular FormulaC17H27ClN2O4S
Molecular Weight390.93 g/mol
Exact Mass390.14
IUPAC Nameethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(NC(=O)CNCC2CCCO2)sc(C)c1CC.Cl
InChIInChI=1S/C17H26N2O4S.ClH/c1-4-13-11(3)24-16(15(13)17(21)22-5-2)19-14(20)10-18-9-12-7-6-8-23-12;/h12,18H,4-10H2,1-3H3,(H,19,20);1H
InChIKeySGGLSZJCOAXSAD-UHFFFAOYSA-N
XLogP2.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride 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-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride
CID 119677224
methyl 4-ethyl-2-[[2-[[5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 19716185
ethyl 2-(3-aminopropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119264652
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3319911
ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 86854578
diethyl 3-methyl-5-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-2,4-dicarboxylate
CID 27522355
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119673691
ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677206
N-(2-ethoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2922810
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
N-(5-methyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 126468686

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride (CID 119677212) is ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride is CCOC(=O)c1c(NC(=O)CNCC2CCCO2)sc(C)c1CC.Cl.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride?
The InChIKey is SGGLSZJCOAXSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S.ClH/c1-4-13-11(3)24-16(15(13)17(21)22-5-2)19-14(20)10-18-9-12-7-6-8-23-12;/h12,18H,4-10H2,1-3H3,(H,19,20);1H.
What are the key properties of ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride?
ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride has a molecular weight of 390.93 g/mol, XLogP of 2.92, 8 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-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride is sourced from PubChem (CID 119677212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).