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

C24H22FN3O3S — CID 3533095

IUPAC2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(CSc1cn(CCNC(=O)c2ccccc2F)c2ccccc12)NCc1ccco1
InChIInChI=1S/C24H22FN3O3S/c25-20-9-3-1-7-18(20)24(30)26-11-12-28-15-22(19-8-2-4-10-21(19)28)32-16-23(29)27-14-17-6-5-13-31-17/h1-10,13,15H,11-12,14,16H2,(H,26,30)(H,27,29)
InChIKeyZYPBXVDXWHOFGE-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.21
Rot. Bonds9

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

2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 3533095) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID3533095
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(CSc1cn(CCNC(=O)c2ccccc2F)c2ccccc12)NCc1ccco1
InChIInChI=1S/C24H22FN3O3S/c25-20-9-3-1-7-18(20)24(30)26-11-12-28-15-22(19-8-2-4-10-21(19)28)32-16-23(29)27-14-17-6-5-13-31-17/h1-10,13,15H,11-12,14,16H2,(H,26,30)(H,27,29)
InChIKeyZYPBXVDXWHOFGE-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 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 3533095) is 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is O=C(CSc1cn(CCNC(=O)c2ccccc2F)c2ccccc12)NCc1ccco1.
What is the InChIKey of 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is ZYPBXVDXWHOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c25-20-9-3-1-7-18(20)24(30)26-11-12-28-15-22(19-8-2-4-10-21(19)28)32-16-23(29)27-14-17-6-5-13-31-17/h1-10,13,15H,11-12,14,16H2,(H,26,30)(H,27,29).
What are the key properties of 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
2-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 2-fluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 3533095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).