diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

C19H24N2O6S — CID 8919026

IUPACdiethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN[C@@H](C)c2ccco2)c(C(=O)OCC)c1C
InChIInChI=1S/C19H24N2O6S/c1-5-25-18(23)15-11(3)16(19(24)26-6-2)28-17(15)21-14(22)10-20-12(4)13-8-7-9-27-13/h7-9,12,20H,5-6,10H2,1-4H3,(H,21,22)/t12-/m0/s1
InChIKeyNHBWAFBBZCUOMK-LBPRGKRZSA-N
MW408.48 g/mol
LogP3.29
Rot. Bonds9

About diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 8919026) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID8919026
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Namediethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN[C@@H](C)c2ccco2)c(C(=O)OCC)c1C
InChIInChI=1S/C19H24N2O6S/c1-5-25-18(23)15-11(3)16(19(24)26-6-2)28-17(15)21-14(22)10-20-12(4)13-8-7-9-27-13/h7-9,12,20H,5-6,10H2,1-4H3,(H,21,22)/t12-/m0/s1
InChIKeyNHBWAFBBZCUOMK-LBPRGKRZSA-N
XLogP3.29
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate with MolForge

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Related Compounds

ethyl 4-cyclopropyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 8919558
ethyl 5-acetyl-4-methyl-2-[[2-[[(1R)-1-phenylethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 2684431
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[[(1R)-1-phenylethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 2684463
ethyl 2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 8919074
ethyl 4-acetyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8920771
diethyl 5-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 6154140
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
ethyl 2-[[2-[1-(2-chlorophenyl)ethylamino]acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 42914039
ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate
CID 112771105
diethyl 5-[(2-benzoyloxyacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 2516867
diethyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate
CID 23912731

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate (CID 8919026) is diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)CN[C@@H](C)c2ccco2)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is NHBWAFBBZCUOMK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-5-25-18(23)15-11(3)16(19(24)26-6-2)28-17(15)21-14(22)10-20-12(4)13-8-7-9-27-13/h7-9,12,20H,5-6,10H2,1-4H3,(H,21,22)/t12-/m0/s1.
What are the key properties of diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 408.48 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 8919026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).