N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

C20H33N3O3S — CID 10023617

IUPACN-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC(C)C)CC2
InChIInChI=1S/C20H33N3O3S/c1-12(2)11-23-10-9-15-13(3)16(22-27(8,25)26)14(4)17(18(15)23)21-19(24)20(5,6)7/h12,22H,9-11H2,1-8H3,(H,21,24)
InChIKeyBYQLAIWMFUGUJH-UHFFFAOYSA-N
MW395.57 g/mol
LogP3.68
Rot. Bonds5

About N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10023617) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10023617
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC(C)C)CC2
InChIInChI=1S/C20H33N3O3S/c1-12(2)11-23-10-9-15-13(3)16(22-27(8,25)26)14(4)17(18(15)23)21-19(24)20(5,6)7/h12,22H,9-11H2,1-8H3,(H,21,24)
InChIKeyBYQLAIWMFUGUJH-UHFFFAOYSA-N
XLogP3.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10023617) is N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC(C)C)CC2.
What is the InChIKey of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is BYQLAIWMFUGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-12(2)11-23-10-9-15-13(3)16(22-27(8,25)26)14(4)17(18(15)23)21-19(24)20(5,6)7/h12,22H,9-11H2,1-8H3,(H,21,24).
What are the key properties of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 395.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-4,6-dimethyl-1-(2-methylpropyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10023617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).