2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide

C24H27N3O2S — CID 51957087

IUPAC2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C24H27N3O2S/c1-26(2)23(28)16-30-22-12-6-4-10-19(22)24(29)27-13-7-9-18(15-27)21-14-17-8-3-5-11-20(17)25-21/h3-6,8,10-12,14,18,25H,7,9,13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyJUEACNNHEQIZEM-GOSISDBHSA-N
MW421.57 g/mol
LogP4.37
Rot. Bonds5

About 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide

2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide (PubChem CID 51957087) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
PubChem CID51957087
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C24H27N3O2S/c1-26(2)23(28)16-30-22-12-6-4-10-19(22)24(29)27-13-7-9-18(15-27)21-14-17-8-3-5-11-20(17)25-21/h3-6,8,10-12,14,18,25H,7,9,13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyJUEACNNHEQIZEM-GOSISDBHSA-N
XLogP4.37
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide with MolForge

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Related Compounds

1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 166352880
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95189827
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
ethyl 1-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperidine-3-carboxylate
CID 55526839
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide (CID 51957087) is 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1ccccc1C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is JUEACNNHEQIZEM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-26(2)23(28)16-30-22-12-6-4-10-19(22)24(29)27-13-7-9-18(15-27)21-14-17-8-3-5-11-20(17)25-21/h3-6,8,10-12,14,18,25H,7,9,13,15-16H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide?
2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 421.57 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 51957087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).