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

C24H27N3O2S — CID 20902452

IUPACN-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C24H27N3O2S/c1-18-9-3-5-11-20(18)25-23(28)17-30-22-15-27(21-12-6-4-10-19(21)22)16-24(29)26-13-7-2-8-14-26/h3-6,9-12,15H,2,7-8,13-14,16-17H2,1H3,(H,25,28)
InChIKeySJLJTEGHVGICEC-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.69
Rot. Bonds6

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

N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide (PubChem CID 20902452) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
PubChem CID20902452
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C24H27N3O2S/c1-18-9-3-5-11-20(18)25-23(28)17-30-22-15-27(21-12-6-4-10-19(21)22)16-24(29)26-13-7-2-8-14-26/h3-6,9-12,15H,2,7-8,13-14,16-17H2,1H3,(H,25,28)
InChIKeySJLJTEGHVGICEC-UHFFFAOYSA-N
XLogP4.69
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
N-(4-fluorophenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902462
N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902511
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
N-(3-chlorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902406
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 20902600
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20902590
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetonitrile
CID 18563347
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide (CID 20902452) is N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide is Cc1ccccc1NC(=O)CSc1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
The InChIKey is SJLJTEGHVGICEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-18-9-3-5-11-20(18)25-23(28)17-30-22-15-27(21-12-6-4-10-19(21)22)16-24(29)26-13-7-2-8-14-26/h3-6,9-12,15H,2,7-8,13-14,16-17H2,1H3,(H,25,28).
What are the key properties of N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide?
N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide has a molecular weight of 421.57 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 20902452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).