N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide

C20H20N2O4S2 — CID 46575958

IUPACN-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NCCSCc1cccs1
InChIInChI=1S/C20H20N2O4S2/c23-19(21-8-11-27-14-17-6-3-10-28-17)13-26-16-5-1-4-15(12-16)22-20(24)18-7-2-9-25-18/h1-7,9-10,12H,8,11,13-14H2,(H,21,23)(H,22,24)
InChIKeyPFGCHZHCOJNDCT-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.02
Rot. Bonds10

About N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide

N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide (PubChem CID 46575958) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide
PubChem CID46575958
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NCCSCc1cccs1
InChIInChI=1S/C20H20N2O4S2/c23-19(21-8-11-27-14-17-6-3-10-28-17)13-26-16-5-1-4-15(12-16)22-20(24)18-7-2-9-25-18/h1-7,9-10,12H,8,11,13-14H2,(H,21,23)(H,22,24)
InChIKeyPFGCHZHCOJNDCT-UHFFFAOYSA-N
XLogP4.02
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 51134943
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119392955
N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46408775
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide (CID 46575958) is N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide is O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCSCc1cccs1.
What is the InChIKey of N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide?
The InChIKey is PFGCHZHCOJNDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c23-19(21-8-11-27-14-17-6-3-10-28-17)13-26-16-5-1-4-15(12-16)22-20(24)18-7-2-9-25-18/h1-7,9-10,12H,8,11,13-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46575958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).