2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C24H29N3O2S — CID 112810627

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C24H29N3O2S/c1-25-14-12-19(13-15-25)26(2)24(29)20-8-4-6-10-22(20)30-17-23(28)27-16-11-18-7-3-5-9-21(18)27/h3-10,19H,11-17H2,1-2H3
InChIKeyVBRXTKJTFTZDJX-UHFFFAOYSA-N
MW423.58 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 112810627) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID112810627
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C24H29N3O2S/c1-25-14-12-19(13-15-25)26(2)24(29)20-8-4-6-10-22(20)30-17-23(28)27-16-11-18-7-3-5-9-21(18)27/h3-10,19H,11-17H2,1-2H3
InChIKeyVBRXTKJTFTZDJX-UHFFFAOYSA-N
XLogP3.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(dimethylamino)ethyl]benzamide
CID 146122881
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55343590
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 31934655
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-(dimethylamino)phenyl]benzamide
CID 78776545
N-(2-aminoethyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119383530
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylbutan-2-yl)benzamide
CID 78780144
N-(3-aminobutyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 119496904
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(4-ethylcyclohexyl)benzamide
CID 112816567
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881823
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119506702
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451548

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 112810627) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is VBRXTKJTFTZDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-25-14-12-19(13-15-25)26(2)24(29)20-8-4-6-10-22(20)30-17-23(28)27-16-11-18-7-3-5-9-21(18)27/h3-10,19H,11-17H2,1-2H3.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 423.58 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 112810627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).