methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate

C20H18N2O6S — CID 55465471

IUPACmethyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C20H18N2O6S/c1-26-20(25)18-16(8-10-29-18)22-17(23)12-28-19(24)14-6-2-3-7-15(14)21-11-13-5-4-9-27-13/h2-10,21H,11-12H2,1H3,(H,22,23)
InChIKeyUTEDTPPAOITPPC-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.54
Rot. Bonds8

About methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate (PubChem CID 55465471) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate
PubChem CID55465471
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Namemethyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C20H18N2O6S/c1-26-20(25)18-16(8-10-29-18)22-17(23)12-28-19(24)14-6-2-3-7-15(14)21-11-13-5-4-9-27-13/h2-10,21H,11-12H2,1H3,(H,22,23)
InChIKeyUTEDTPPAOITPPC-UHFFFAOYSA-N
XLogP3.54
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate 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

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150083
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7256849
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613689
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 16505050
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 4840922
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7602503
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224219

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate (CID 55465471) is methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)COC(=O)c1ccccc1NCc1ccco1.
What is the InChIKey of methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate?
The InChIKey is UTEDTPPAOITPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-26-20(25)18-16(8-10-29-18)22-17(23)12-28-19(24)14-6-2-3-7-15(14)21-11-13-5-4-9-27-13/h2-10,21H,11-12H2,1H3,(H,22,23).
What are the key properties of methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate has a molecular weight of 414.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(furan-2-ylmethylamino)benzoyl]oxyacetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 55465471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).