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

C21H35N3O3S — CID 10092947

IUPACN-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C21H35N3O3S/c1-8-9-10-12-24-13-11-16-14(2)17(23-28(7,26)27)15(3)18(19(16)24)22-20(25)21(4,5)6/h23H,8-13H2,1-7H3,(H,22,25)
InChIKeyRBKNPTJINPQTRO-UHFFFAOYSA-N
MW409.60 g/mol
LogP4.21
Rot. Bonds7

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

N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 10092947) 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-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID10092947
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC NameN-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C21H35N3O3S/c1-8-9-10-12-24-13-11-16-14(2)17(23-28(7,26)27)15(3)18(19(16)24)22-20(25)21(4,5)6/h23H,8-13H2,1-7H3,(H,22,25)
InChIKeyRBKNPTJINPQTRO-UHFFFAOYSA-N
XLogP4.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 10092947) is N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is CCCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is RBKNPTJINPQTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-8-9-10-12-24-13-11-16-14(2)17(23-28(7,26)27)15(3)18(19(16)24)22-20(25)21(4,5)6/h23H,8-13H2,1-7H3,(H,22,25).
What are the key properties of N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 409.60 g/mol, XLogP of 4.21, 7 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-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10092947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).