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

C21H33N3O3S — CID 10319240

IUPACN-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CCC1)CC2
InChIInChI=1S/C21H33N3O3S/c1-13-16-10-11-24(12-15-8-7-9-15)19(16)18(22-20(25)21(3,4)5)14(2)17(13)23-28(6,26)27/h15,23H,7-12H2,1-6H3,(H,22,25)
InChIKeyUYTVKTSFGWUDJS-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.82
Rot. Bonds5

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

N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10319240) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10319240
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CCC1)CC2
InChIInChI=1S/C21H33N3O3S/c1-13-16-10-11-24(12-15-8-7-9-15)19(16)18(22-20(25)21(3,4)5)14(2)17(13)23-28(6,26)27/h15,23H,7-12H2,1-6H3,(H,22,25)
InChIKeyUYTVKTSFGWUDJS-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
N-(1-Butyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 10340670
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(3-methylbutyl)indolin-7-yl]-2,2-dimethylpropanamide
CID 10341472
N-[1-(2-Ethoxyethyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2,2-dimethylpropanamide
CID 10431767

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10319240) is N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CCC1)CC2.
What is the InChIKey of N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is UYTVKTSFGWUDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-13-16-10-11-24(12-15-8-7-9-15)19(16)18(22-20(25)21(3,4)5)14(2)17(13)23-28(6,26)27/h15,23H,7-12H2,1-6H3,(H,22,25).
What are the key properties of N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 407.58 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutylmethyl)-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10319240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).