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

C21H35N3O3S — CID 10341472

IUPACN-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CCC(C)C)CC2
InChIInChI=1S/C21H35N3O3S/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/h13,23H,9-12H2,1-8H3,(H,22,25)
InChIKeyGGQVOQWCJWFEFU-UHFFFAOYSA-N
MW409.60 g/mol
LogP4.07
Rot. Bonds6

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

N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10341472) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10341472
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC NameN-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CCC(C)C)CC2
InChIInChI=1S/C21H35N3O3S/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/h13,23H,9-12H2,1-8H3,(H,22,25)
InChIKeyGGQVOQWCJWFEFU-UHFFFAOYSA-N
XLogP4.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.07
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-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10341472) is N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CCC(C)C)CC2.
What is the InChIKey of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is GGQVOQWCJWFEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3S/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/h13,23H,9-12H2,1-8H3,(H,22,25).
What are the key properties of N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[5-(methanesulfonamido)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 409.60 g/mol, XLogP of 4.07, 6 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-methylbutyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10341472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).