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

C20H33N3O3S — CID 10340670

IUPACN-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C20H33N3O3S/c1-8-9-11-23-12-10-15-13(2)16(22-27(7,25)26)14(3)17(18(15)23)21-19(24)20(4,5)6/h22H,8-12H2,1-7H3,(H,21,24)
InChIKeyXTICZTYNPSJCCB-UHFFFAOYSA-N
MW395.57 g/mol
LogP3.82
Rot. Bonds6

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

N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10340670) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10340670
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C20H33N3O3S/c1-8-9-11-23-12-10-15-13(2)16(22-27(7,25)26)14(3)17(18(15)23)21-19(24)20(4,5)6/h22H,8-12H2,1-7H3,(H,21,24)
InChIKeyXTICZTYNPSJCCB-UHFFFAOYSA-N
XLogP3.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-(4,6-dimethyl-1-octylindolin-7-yl)pivalamide
CID 9975693
KY-455
CID 9819918
N-(1-Hexyl-2,3-dihydro-4,6-dimethyl-1H-indol-7-yl)-2,2-dimethylpropanamide
CID 9929135
N-(5-Methanesulfonylamino-4,6-dimethyl-1-octylindolin-7-yl)-2,2-dimethylpropanamide
CID 9981277
N-(5-Methanesulfonylamino-1,4,6-trimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 9998209
N-(5-Methanesulfonylamino-4,6-dimethyl-1-propylindolin-7-yl)-2,2-dimethylpropanamide
CID 9999913
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(2-methylpropyl)indolin-7-yl]-2,2-dimethylpropanamide
CID 10023617
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(3-methyl-2-butenyl)indolin-7-yl]-2,2-dimethylpropanamide
CID 10046998
N-[5-Methanesulfonylamino-1-(2-methoxyethyl)-4,6-dimethylindolin-7-yl]-2,2-dimethylpropanamide
CID 10092238
N-(5-Methanesulfonylamino-4,6-dimethyl-1-pentylindolin-7-yl)-2,2-dimethylpropanamide
CID 10092947
N-[1-(Cyclopropylmethyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2,2-dimethylpropanamide
CID 10250001
N-(1-Isopropyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 10317724

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10340670) is N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is CCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is XTICZTYNPSJCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-8-9-11-23-12-10-15-13(2)16(22-27(7,25)26)14(3)17(18(15)23)21-19(24)20(4,5)6/h22H,8-12H2,1-7H3,(H,21,24).
What are the key properties of N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 395.57 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10340670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).