2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide

C23H23F2N3O3S — CID 4530119

IUPAC2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C23H23F2N3O3S/c24-17-5-3-6-18(25)22(17)23(30)26-8-9-28-14-20(16-4-1-2-7-19(16)28)32-15-21(29)27-10-12-31-13-11-27/h1-7,14H,8-13,15H2,(H,26,30)
InChIKeyONZTUBGGQJVDPQ-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.30
Rot. Bonds7

About 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide

2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 4530119) has the molecular formula C23H23F2N3O3S and a molecular weight of 459.52 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide
PubChem CID4530119
Molecular FormulaC23H23F2N3O3S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC Name2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C23H23F2N3O3S/c24-17-5-3-6-18(25)22(17)23(30)26-8-9-28-14-20(16-4-1-2-7-19(16)28)32-15-21(29)27-10-12-31-13-11-27/h1-7,14H,8-13,15H2,(H,26,30)
InChIKeyONZTUBGGQJVDPQ-UHFFFAOYSA-N
XLogP3.30
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide (CID 4530119) is 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide is O=C(NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc21)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is ONZTUBGGQJVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3S/c24-17-5-3-6-18(25)22(17)23(30)26-8-9-28-14-20(16-4-1-2-7-19(16)28)32-15-21(29)27-10-12-31-13-11-27/h1-7,14H,8-13,15H2,(H,26,30).
What are the key properties of 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide?
2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 459.52 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 4530119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).