(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide

C22H28N2O3S — CID 30464060

About (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide

(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 30464060) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 30464060
• Molecular Formula: C22H28N2O3S
• Molecular Weight: 400.54 g/mol
• Exact Mass: 400.18
• IUPAC Name: (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
• SMILES: Cc1cc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1C
• InChI: InChI=1S/C22H28N2O3S/c1-13-9-15(3)20(10-14(13)2)17(5)23-22(25)18-7-8-21-19(12-18)11-16(4)24(21)28(6,26)27/h7-10,12,16-17H,11H2,1-6H3,(H,23,25)/t16-,17-/m1/s1
• InChIKey: KCHZDYDMGSAISH-IAGOWNOFSA-N
• XLogP: 3.81
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.54
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide?

The IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide (CID 30464060) is (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide is Cc1cc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1C.

What is the InChIKey of (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide?

The InChIKey is KCHZDYDMGSAISH-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-13-9-15(3)20(10-14(13)2)17(5)23-22(25)18-7-8-21-19(12-18)11-16(4)24(21)28(6,26)27/h7-10,12,16-17H,11H2,1-6H3,(H,23,25)/t16-,17-/m1/s1.

What are the key properties of (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide?

(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 30464060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).