ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate

C18H24N2O4S — CID 9331952

IUPACethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)sc1NC(=O)CN(C)Cc1ccco1
InChIInChI=1S/C18H24N2O4S/c1-5-23-18(22)14-9-15(12(2)3)25-17(14)19-16(21)11-20(4)10-13-7-6-8-24-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyUNBUSHFXSUWWTH-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.71
Rot. Bonds8

About ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate

ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate (PubChem CID 9331952) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
PubChem CID9331952
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Nameethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)sc1NC(=O)CN(C)Cc1ccco1
InChIInChI=1S/C18H24N2O4S/c1-5-23-18(22)14-9-15(12(2)3)25-17(14)19-16(21)11-20(4)10-13-7-6-8-24-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyUNBUSHFXSUWWTH-UHFFFAOYSA-N
XLogP3.71
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 9050241
ethyl 2-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 6277389
ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate
CID 24720095
ethyl 2-[[2-[3-(furan-2-carbonylamino)-4-methylbenzoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 3914657
ethyl 2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 4821367
ethyl 2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7777018
ethyl 4-carbamoyl-5-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
CID 8621081
ethyl 2-[(4-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
CID 46094798
5-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-5-oxopentanoate
CID 5002103
[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772591
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7916277
[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2645491

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate (CID 9331952) is ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate is CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN(C)Cc1ccco1.
What is the InChIKey of ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?
The InChIKey is UNBUSHFXSUWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-5-23-18(22)14-9-15(12(2)3)25-17(14)19-16(21)11-20(4)10-13-7-6-8-24-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,21).
What are the key properties of ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?
ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 9331952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).