4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

C24H22FN3O3S — CID 5213502

IUPAC4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(CSc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C24H22FN3O3S/c25-18-9-7-17(8-10-18)24(30)26-11-12-28-15-22(20-5-1-2-6-21(20)28)32-16-23(29)27-14-19-4-3-13-31-19/h1-10,13,15H,11-12,14,16H2,(H,26,30)(H,27,29)
InChIKeyOGGUSTHHOSADAS-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.21
Rot. Bonds9

About 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 5213502) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID5213502
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(CSc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C24H22FN3O3S/c25-18-9-7-17(8-10-18)24(30)26-11-12-28-15-22(20-5-1-2-6-21(20)28)32-16-23(29)27-14-19-4-3-13-31-19/h1-10,13,15H,11-12,14,16H2,(H,26,30)(H,27,29)
InChIKeyOGGUSTHHOSADAS-UHFFFAOYSA-N
XLogP4.21
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 5213502) is 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is O=C(CSc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is OGGUSTHHOSADAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c25-18-9-7-17(8-10-18)24(30)26-11-12-28-15-22(20-5-1-2-6-21(20)28)32-16-23(29)27-14-19-4-3-13-31-19/h1-10,13,15H,11-12,14,16H2,(H,26,30)(H,27,29).
What are the key properties of 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 451.52 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 5213502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).