N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide

C22H19FN2O2S — CID 4897660

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1ccoc1CSc1ccccc1
InChIInChI=1S/C22H19FN2O2S/c23-16-6-7-20-19(12-16)15(13-25-20)8-10-24-22(26)18-9-11-27-21(18)14-28-17-4-2-1-3-5-17/h1-7,9,11-13,25H,8,10,14H2,(H,24,26)
InChIKeyBUQWQANXIMAQOM-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.16
Rot. Bonds7

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide (PubChem CID 4897660) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide
PubChem CID4897660
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1ccoc1CSc1ccccc1
InChIInChI=1S/C22H19FN2O2S/c23-16-6-7-20-19(12-16)15(13-25-20)8-10-24-22(26)18-9-11-27-21(18)14-28-17-4-2-1-3-5-17/h1-7,9,11-13,25H,8,10,14H2,(H,24,26)
InChIKeyBUQWQANXIMAQOM-UHFFFAOYSA-N
XLogP5.16
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111972111
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide (CID 4897660) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccoc1CSc1ccccc1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide?
The InChIKey is BUQWQANXIMAQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-16-6-7-20-19(12-16)15(13-25-20)8-10-24-22(26)18-9-11-27-21(18)14-28-17-4-2-1-3-5-17/h1-7,9,11-13,25H,8,10,14H2,(H,24,26).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(phenylsulfanylmethyl)furan-3-carboxamide is sourced from PubChem (CID 4897660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).