2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

C22H24FN3O2S — CID 46379037

IUPAC2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1c(Sc2ccc(F)cc2)[nH]c2ccccc12)NCCN1CCOCC1
InChIInChI=1S/C22H24FN3O2S/c23-16-5-7-17(8-6-16)29-22-19(18-3-1-2-4-20(18)25-22)15-21(27)24-9-10-26-11-13-28-14-12-26/h1-8,25H,9-15H2,(H,24,27)
InChIKeyHTDMWDDNWHWJFS-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.45
Rot. Bonds7

About 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 46379037) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID46379037
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC Name2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1c(Sc2ccc(F)cc2)[nH]c2ccccc12)NCCN1CCOCC1
InChIInChI=1S/C22H24FN3O2S/c23-16-5-7-17(8-6-16)29-22-19(18-3-1-2-4-20(18)25-22)15-21(27)24-9-10-26-11-13-28-14-12-26/h1-8,25H,9-15H2,(H,24,27)
InChIKeyHTDMWDDNWHWJFS-UHFFFAOYSA-N
XLogP3.45
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46379088
N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
CID 46328992
2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 46379032
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174593
2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680
N-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2634687
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 46379037) is 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(Cc1c(Sc2ccc(F)cc2)[nH]c2ccccc12)NCCN1CCOCC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is HTDMWDDNWHWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c23-16-5-7-17(8-6-16)29-22-19(18-3-1-2-4-20(18)25-22)15-21(27)24-9-10-26-11-13-28-14-12-26/h1-8,25H,9-15H2,(H,24,27).
What are the key properties of 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfanyl-1H-indol-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 46379037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).