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

C18H29N3O3S — CID 10451623

IUPACN-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C18H29N3O3S/c1-8-21-10-9-13-11(2)14(20-25(7,23)24)12(3)15(16(13)21)19-17(22)18(4,5)6/h20H,8-10H2,1-7H3,(H,19,22)
InChIKeyVUWPQSKZGDOIAI-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.04
Rot. Bonds4

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

N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10451623) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10451623
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C18H29N3O3S/c1-8-21-10-9-13-11(2)14(20-25(7,23)24)12(3)15(16(13)21)19-17(22)18(4,5)6/h20H,8-10H2,1-7H3,(H,19,22)
InChIKeyVUWPQSKZGDOIAI-UHFFFAOYSA-N
XLogP3.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-ethyl-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-(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

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10451623) is N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is CCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is VUWPQSKZGDOIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-8-21-10-9-13-11(2)14(20-25(7,23)24)12(3)15(16(13)21)19-17(22)18(4,5)6/h20H,8-10H2,1-7H3,(H,19,22).
What are the key properties of N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 367.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(methanesulfonamido)-4,6-dimethyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10451623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).