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

C18H16N2O4S — CID 55616650

IUPACN-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1cccs1
InChIInChI=1S/C18H16N2O4S/c21-17(19-11-15-6-3-9-25-15)12-24-14-5-1-4-13(10-14)20-18(22)16-7-2-8-23-16/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyGBPAHGTZHCLSDA-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.29
Rot. Bonds7

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

N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide (PubChem CID 55616650) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
PubChem CID55616650
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1cccs1
InChIInChI=1S/C18H16N2O4S/c21-17(19-11-15-6-3-9-25-15)12-24-14-5-1-4-13(10-14)20-18(22)16-7-2-8-23-16/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyGBPAHGTZHCLSDA-UHFFFAOYSA-N
XLogP3.29
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46575958
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 49353218
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide (CID 55616650) is N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide is O=C(COc1cccc(NC(=O)c2ccco2)c1)NCc1cccs1.
What is the InChIKey of N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide?
The InChIKey is GBPAHGTZHCLSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c21-17(19-11-15-6-3-9-25-15)12-24-14-5-1-4-13(10-14)20-18(22)16-7-2-8-23-16/h1-10H,11-12H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55616650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).