N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide

C23H24FN3O2S — CID 20902462

IUPACN-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2S/c24-17-8-10-18(11-9-17)25-22(28)16-30-21-14-27(20-7-3-2-6-19(20)21)15-23(29)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H,25,28)
InChIKeyYFOBVBKBIGZDSJ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.52
Rot. Bonds6

About N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide (PubChem CID 20902462) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
PubChem CID20902462
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
SMILESO=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2S/c24-17-8-10-18(11-9-17)25-22(28)16-30-21-14-27(20-7-3-2-6-19(20)21)15-23(29)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H,25,28)
InChIKeyYFOBVBKBIGZDSJ-UHFFFAOYSA-N
XLogP4.52
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20902590
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
N-(3-chlorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902406
N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902452
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-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(4-fluorophenyl)-2-oxoacetamide
CID 40506681
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-piperidin-1-ylethanone
CID 4548690
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 20902600
N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902519
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetonitrile
CID 18563347

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide (CID 20902462) is N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide is O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The InChIKey is YFOBVBKBIGZDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-17-8-10-18(11-9-17)25-22(28)16-30-21-14-27(20-7-3-2-6-19(20)21)15-23(29)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide has a molecular weight of 425.53 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 20902462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).