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

C19H31N3O4S — CID 10092238

IUPACN-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCOCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C19H31N3O4S/c1-12-14-8-9-22(10-11-26-6)17(14)16(20-18(23)19(3,4)5)13(2)15(12)21-27(7,24)25/h21H,8-11H2,1-7H3,(H,20,23)
InChIKeyCMFVHXWONLKWQY-UHFFFAOYSA-N
MW397.54 g/mol
LogP2.67
Rot. Bonds6

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

N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10092238) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10092238
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCOCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C19H31N3O4S/c1-12-14-8-9-22(10-11-26-6)17(14)16(20-18(23)19(3,4)5)13(2)15(12)21-27(7,24)25/h21H,8-11H2,1-7H3,(H,20,23)
InChIKeyCMFVHXWONLKWQY-UHFFFAOYSA-N
XLogP2.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-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-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-(Cyclobutylmethyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2,2-dimethylpropanamide
CID 10319240
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-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10092238) is N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is COCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is CMFVHXWONLKWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-12-14-8-9-22(10-11-26-6)17(14)16(20-18(23)19(3,4)5)13(2)15(12)21-27(7,24)25/h21H,8-11H2,1-7H3,(H,20,23).
What are the key properties of N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 397.54 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-1-(2-methoxyethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10092238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).