ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

C21H30N2O6S — CID 3319911

IUPACethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)C2CCCCC2)sc(C)c1CC
InChIInChI=1S/C21H30N2O6S/c1-4-15-13(3)30-20(18(15)21(27)28-5-2)23-16(24)12-29-17(25)11-22-19(26)14-9-7-6-8-10-14/h14H,4-12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyLOICEFLDIXNHFM-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.97
Rot. Bonds9

About ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 3319911) has the molecular formula C21H30N2O6S and a molecular weight of 438.55 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID3319911
Molecular FormulaC21H30N2O6S
Molecular Weight438.55 g/mol
Exact Mass438.18
IUPAC Nameethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)C2CCCCC2)sc(C)c1CC
InChIInChI=1S/C21H30N2O6S/c1-4-15-13(3)30-20(18(15)21(27)28-5-2)23-16(24)12-29-17(25)11-22-19(26)14-9-7-6-8-10-14/h14H,4-12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyLOICEFLDIXNHFM-UHFFFAOYSA-N
XLogP2.97
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-[2-(adamantane-1-carbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3968904
ethyl 2-[[2-[3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyloxy]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 98283156
ethyl 2-(cyclopropanecarbonylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 2373846
ethyl 2-[[2-(3-cyclohexylpropanoyloxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 3275238
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
(2S,3R)-3-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27521789
ethyl 2-[[2-[2-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 51724113
ethyl 4-ethyl-5-methyl-2-[[2-(5-methylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 3999257
ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677206
ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride
CID 119677212
[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
ethyl 2-(3-aminopropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119264652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 3319911) is ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)C2CCCCC2)sc(C)c1CC.
What is the InChIKey of ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is LOICEFLDIXNHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O6S/c1-4-15-13(3)30-20(18(15)21(27)28-5-2)23-16(24)12-29-17(25)11-22-19(26)14-9-7-6-8-10-14/h14H,4-12H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 438.55 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 3319911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).