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

C21H33N3O3S — CID 10046998

IUPACN-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCC(C)=CCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C21H33N3O3S/c1-13(2)9-11-24-12-10-16-14(3)17(23-28(8,26)27)15(4)18(19(16)24)22-20(25)21(5,6)7/h9,23H,10-12H2,1-8H3,(H,22,25)
InChIKeyBWSUPJKAADMZNY-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.99
Rot. Bonds5

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

N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10046998) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10046998
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCC(C)=CCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C21H33N3O3S/c1-13(2)9-11-24-12-10-16-14(3)17(23-28(8,26)27)15(4)18(19(16)24)22-20(25)21(5,6)7/h9,23H,10-12H2,1-8H3,(H,22,25)
InChIKeyBWSUPJKAADMZNY-UHFFFAOYSA-N
XLogP3.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10046998) is N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is CC(C)=CCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is BWSUPJKAADMZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-13(2)9-11-24-12-10-16-14(3)17(23-28(8,26)27)15(4)18(19(16)24)22-20(25)21(5,6)7/h9,23H,10-12H2,1-8H3,(H,22,25).
What are the key properties of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 407.58 g/mol, XLogP of 3.99, 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-(3-methylbut-2-enyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10046998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).