2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide

C20H31N3O3S — CID 17485264

IUPAC2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C20H31N3O3S/c1-13-9-15-10-14(7-8-17(15)23(13)27(6,25)26)18(24)21-16-11-19(2,3)22-20(4,5)12-16/h7-8,10,13,16,22H,9,11-12H2,1-6H3,(H,21,24)
InChIKeyOBTJIFVTOQJWQH-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide

2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 17485264) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID17485264
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C20H31N3O3S/c1-13-9-15-10-14(7-8-17(15)23(13)27(6,25)26)18(24)21-16-11-19(2,3)22-20(4,5)12-16/h7-8,10,13,16,22H,9,11-12H2,1-6H3,(H,21,24)
InChIKeyOBTJIFVTOQJWQH-UHFFFAOYSA-N
XLogP2.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide with MolForge

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Related Compounds

(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
(2R)-N-(2-methoxyethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452572
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
2-methyl-1-methylsulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-2,3-dihydroindole-5-carboxamide
CID 55782810
(2S)-N-(3-methoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452577
N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46515794
(2R)-2-methyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51923439
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide (CID 17485264) is 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is OBTJIFVTOQJWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-13-9-15-10-14(7-8-17(15)23(13)27(6,25)26)18(24)21-16-11-19(2,3)22-20(4,5)12-16/h7-8,10,13,16,22H,9,11-12H2,1-6H3,(H,21,24).
What are the key properties of 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide?
2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 17485264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).