N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide

C26H45N3O3S — CID 10367852

IUPACN-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide
SMILESCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c2c(c(NS(=O)(=O)CCC)c1C)NCC2
InChIInChI=1S/C26H45N3O3S/c1-7-9-10-11-12-13-14-16-26(5,6)25(30)28-22-19(3)21-15-17-27-24(21)23(20(22)4)29-33(31,32)18-8-2/h27,29H,7-18H2,1-6H3,(H,28,30)
InChIKeyJZAQKAVLSUUQAF-UHFFFAOYSA-N
MW479.73 g/mol
LogP6.53
Rot. Bonds14

About N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide

N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide (PubChem CID 10367852) has the molecular formula C26H45N3O3S and a molecular weight of 479.73 g/mol. Its IUPAC name is N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide
PubChem CID10367852
Molecular FormulaC26H45N3O3S
Molecular Weight479.73 g/mol
Exact Mass479.32
IUPAC NameN-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide
SMILESCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c2c(c(NS(=O)(=O)CCC)c1C)NCC2
InChIInChI=1S/C26H45N3O3S/c1-7-9-10-11-12-13-14-16-26(5,6)25(30)28-22-19(3)21-15-17-27-24(21)23(20(22)4)29-33(31,32)18-8-2/h27,29H,7-18H2,1-6H3,(H,28,30)
InChIKeyJZAQKAVLSUUQAF-UHFFFAOYSA-N
XLogP6.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.73
LogP ≤ 56.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate
CID 46872447
tert-butyl N-[5-(2,2-dimethylundecanoylamino)-2,3-dihydro-1H-indol-7-yl]carbamate
CID 174520925
tert-butyl N-[5-(2,2-dimethylundecanoylamino)-2,3-dihydro-1H-indol-7-yl]carbamate;methanamine
CID 174520924
N-(1-acetyl-6,7-dimethyl-2-oxo-3,4-dihydroquinolin-5-yl)-2,2-dimethyldodecanamide
CID 139646790
N-[5-(dimethylamino)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-2,2-dimethyldodecanamide;hydrochloride
CID 18985083
N-[5-(methanesulfonamido)-4,6-dimethyl-1-pentyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 10092947
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N,2,2-trimethyloctadecanamide
CID 158817445
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
2,2-dimethyl-N-oxidodecanamide
CID 141061443
N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide
CID 153288461
N-ethyl-2,2-dimethylheptanamide
CID 168939290

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide?
The IUPAC name of N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide (CID 10367852) is N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide.
What is the SMILES notation for N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide?
The canonical SMILES for N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide is CCCCCCCCCC(C)(C)C(=O)Nc1c(C)c2c(c(NS(=O)(=O)CCC)c1C)NCC2.
What is the InChIKey of N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide?
The InChIKey is JZAQKAVLSUUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3O3S/c1-7-9-10-11-12-13-14-16-26(5,6)25(30)28-22-19(3)21-15-17-27-24(21)23(20(22)4)29-33(31,32)18-8-2/h27,29H,7-18H2,1-6H3,(H,28,30).
What are the key properties of N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide?
N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide has a molecular weight of 479.73 g/mol, XLogP of 6.53, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-7-(propylsulfonylamino)-2,3-dihydro-1H-indol-5-yl]-2,2-dimethylundecanamide is sourced from PubChem (CID 10367852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).