ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate

C21H20N2O4S — CID 78889031

IUPACethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1SCC(=O)N(Cc1ccco1)c1ccccc1
InChIInChI=1S/C21H20N2O4S/c1-2-26-21(25)18-11-6-12-22-20(18)28-15-19(24)23(14-17-10-7-13-27-17)16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3
InChIKeySDPBJVNXWQMEPT-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.18
Rot. Bonds8

About ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate

ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate (PubChem CID 78889031) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
PubChem CID78889031
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Nameethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1SCC(=O)N(Cc1ccco1)c1ccccc1
InChIInChI=1S/C21H20N2O4S/c1-2-26-21(25)18-11-6-12-22-20(18)28-15-19(24)23(14-17-10-7-13-27-17)16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3
InChIKeySDPBJVNXWQMEPT-UHFFFAOYSA-N
XLogP4.18
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632980
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43300561
3-[(3-ethoxycarbonyl-2-pyridinyl)sulfanyl]propanoic acid
CID 24693927
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4615912
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 55445056
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78826719
ethyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate
CID 3336540
N-(furan-2-ylmethyl)-2-(2-methoxyphenoxy)-N-phenylacetamide
CID 18100575
N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160453
ethyl 2-[1-(furan-2-yl)propan-2-ylamino]pyridine-3-carboxylate
CID 61042919
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate (CID 78889031) is ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate is CCOC(=O)c1cccnc1SCC(=O)N(Cc1ccco1)c1ccccc1.
What is the InChIKey of ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The InChIKey is SDPBJVNXWQMEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-26-21(25)18-11-6-12-22-20(18)28-15-19(24)23(14-17-10-7-13-27-17)16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3.
What are the key properties of ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate?
ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 78889031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).