ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate

C18H18N2O5S — CID 5299683

IUPACethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccco1
InChIInChI=1S/C18H18N2O5S/c1-4-24-18(22)15-14(20-16(21)12-6-5-7-25-12)13-11(9-23-3)8-10(2)19-17(13)26-15/h5-8H,4,9H2,1-3H3,(H,20,21)
InChIKeySMSJPCRZXWUQFI-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.77
Rot. Bonds6

About ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 5299683) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID5299683
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Nameethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccco1
InChIInChI=1S/C18H18N2O5S/c1-4-24-18(22)15-14(20-16(21)12-6-5-7-25-12)13-11(9-23-3)8-10(2)19-17(13)26-15/h5-8H,4,9H2,1-3H3,(H,20,21)
InChIKeySMSJPCRZXWUQFI-UHFFFAOYSA-N
XLogP3.77
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 5302650
3-amino-N-(2-ethoxyphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1093411
ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767
3-amino-N-(2-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1209422
N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
CID 16761636
ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 10358756
ethyl 4,6-dimethyl-3-[(3-phenoxybenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 2373730
ethyl 3-[(2-chloroacetyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 4962060
3-amino-N-(2-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 126069710
ethyl 4,6-dimethyl-3-[(3-methylsulfonylbenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 40952135
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1045586
N-[2-[(S)-hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-4-methoxybenzamide
CID 25285763

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 5299683) is ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccco1.
What is the InChIKey of ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is SMSJPCRZXWUQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-4-24-18(22)15-14(20-16(21)12-6-5-7-25-12)13-11(9-23-3)8-10(2)19-17(13)26-15/h5-8H,4,9H2,1-3H3,(H,20,21).
What are the key properties of ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 5299683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).