ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate

C20H23NO6S — CID 2538034

IUPACethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2ccc(CO)cc2)sc(C)c1CC
InChIInChI=1S/C20H23NO6S/c1-4-15-12(3)28-18(17(15)20(25)26-5-2)21-16(23)11-27-19(24)14-8-6-13(10-22)7-9-14/h6-9,22H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyKZUPZWNTJVAJNR-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.08
Rot. Bonds8

About ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate

ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate (PubChem CID 2538034) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate
PubChem CID2538034
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Nameethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2ccc(CO)cc2)sc(C)c1CC
InChIInChI=1S/C20H23NO6S/c1-4-15-12(3)28-18(17(15)20(25)26-5-2)21-16(23)11-27-19(24)14-8-6-13(10-22)7-9-14/h6-9,22H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyKZUPZWNTJVAJNR-UHFFFAOYSA-N
XLogP3.08
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-ethyl-5-methyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 3999257
ethyl 2-[[2-(2,4-dihydroxybenzoyl)oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 7500939
ethyl 4-ethyl-5-methyl-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 55360356
[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477324
diethyl 5-[[2-(4-methoxycarbonylbenzoyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16506471
ethyl 2-[[2-[4-(cyanomethyl)phenoxy]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 55313127
[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385661
ethyl 4-ethyl-5-methyl-2-[[2-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 5136700
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 5031541
ethyl 2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CID 2537881
diethyl 5-[(2-benzoyloxyacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 2516867

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate (CID 2538034) is ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(CO)cc2)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate?
The InChIKey is KZUPZWNTJVAJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-4-15-12(3)28-18(17(15)20(25)26-5-2)21-16(23)11-27-19(24)14-8-6-13(10-22)7-9-14/h6-9,22H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate?
ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate has a molecular weight of 405.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-[[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 2538034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).