2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

C24H21F2N3O3S — CID 4055816

IUPAC2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)NCc1ccco1
InChIInChI=1S/C24H21F2N3O3S/c25-18-7-3-8-19(26)23(18)24(31)27-10-11-29-14-21(17-6-1-2-9-20(17)29)33-15-22(30)28-13-16-5-4-12-32-16/h1-9,12,14H,10-11,13,15H2,(H,27,31)(H,28,30)
InChIKeyYMZGLPNJFKSVRA-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.35
Rot. Bonds9

About 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 4055816) has the molecular formula C24H21F2N3O3S and a molecular weight of 469.51 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID4055816
Molecular FormulaC24H21F2N3O3S
Molecular Weight469.51 g/mol
Exact Mass469.13
IUPAC Name2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)NCc1ccco1
InChIInChI=1S/C24H21F2N3O3S/c25-18-7-3-8-19(26)23(18)24(31)27-10-11-29-14-21(17-6-1-2-9-20(17)29)33-15-22(30)28-13-16-5-4-12-32-16/h1-9,12,14H,10-11,13,15H2,(H,27,31)(H,28,30)
InChIKeyYMZGLPNJFKSVRA-UHFFFAOYSA-N
XLogP4.35
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 4055816) is 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is O=C(CSc1cn(CCNC(=O)c2c(F)cccc2F)c2ccccc12)NCc1ccco1.
What is the InChIKey of 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is YMZGLPNJFKSVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3S/c25-18-7-3-8-19(26)23(18)24(31)27-10-11-29-14-21(17-6-1-2-9-20(17)29)33-15-22(30)28-13-16-5-4-12-32-16/h1-9,12,14H,10-11,13,15H2,(H,27,31)(H,28,30).
What are the key properties of 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 469.51 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 4055816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).