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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Related Compounds

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CID 3240248
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 16194637
N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
CID 3240671
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 582676
2-Amino-N-furan-2-ylmethyl-3-(1H-indol-3-yl)-propionamide
CID 582509
2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-(2-furylmethyl)acetamide
CID 2227057
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 17580014
N-(furan-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2930335
1-(4-fluoro-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506359
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 644788

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).