N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide

C22H21F2N3O3S — CID 20902519

IUPACN-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C22H21F2N3O3S/c23-15-5-6-18(17(24)11-15)25-21(28)14-31-20-12-27(19-4-2-1-3-16(19)20)13-22(29)26-7-9-30-10-8-26/h1-6,11-12H,7-10,13-14H2,(H,25,28)
InChIKeyUBZNAVYIGVSHMP-UHFFFAOYSA-N
MW445.49 g/mol
LogP3.51
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide

N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide (PubChem CID 20902519) has the molecular formula C22H21F2N3O3S and a molecular weight of 445.49 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
PubChem CID20902519
Molecular FormulaC22H21F2N3O3S
Molecular Weight445.49 g/mol
Exact Mass445.13
IUPAC NameN-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C22H21F2N3O3S/c23-15-5-6-18(17(24)11-15)25-21(28)14-31-20-12-27(19-4-2-1-3-16(19)20)13-22(29)26-7-9-30-10-8-26/h1-6,11-12H,7-10,13-14H2,(H,25,28)
InChIKeyUBZNAVYIGVSHMP-UHFFFAOYSA-N
XLogP3.51
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902511
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534
N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902462
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 20902541
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902416
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902452
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757
4-chloro-N-[2-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4171401
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide (CID 20902519) is N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide is O=C(CSc1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The InChIKey is UBZNAVYIGVSHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3S/c23-15-5-6-18(17(24)11-15)25-21(28)14-31-20-12-27(19-4-2-1-3-16(19)20)13-22(29)26-7-9-30-10-8-26/h1-6,11-12H,7-10,13-14H2,(H,25,28).
What are the key properties of N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide has a molecular weight of 445.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 20902519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).