2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C21H26N2O3S — CID 78808921

IUPAC2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C21H26N2O3S/c1-13(2)18-8-6-7-14(3)20(18)22-21(24)16-9-10-19-17(12-16)11-15(4)23(19)27(5,25)26/h6-10,12-13,15H,11H2,1-5H3,(H,22,24)
InChIKeyXXNWREYEMLPWEB-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.08
Rot. Bonds4

About 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 78808921) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID78808921
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C21H26N2O3S/c1-13(2)18-8-6-7-14(3)20(18)22-21(24)16-9-10-19-17(12-16)11-15(4)23(19)27(5,25)26/h6-10,12-13,15H,11H2,1-5H3,(H,22,24)
InChIKeyXXNWREYEMLPWEB-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
2-methyl-1-methylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43906863
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 30464060
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46821100
(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
(2,6-dimethylphenyl) (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8777243
(2,6-dimethylphenyl) (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8777244
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
CID 55474873
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
(2S)-N-(3-ethylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603095
(2S)-N-(3,5-dichlorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 78808921) is 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is XXNWREYEMLPWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-13(2)18-8-6-7-14(3)20(18)22-21(24)16-9-10-19-17(12-16)11-15(4)23(19)27(5,25)26/h6-10,12-13,15H,11H2,1-5H3,(H,22,24).
What are the key properties of 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 78808921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).