1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide

C16H24N2O4S — CID 56731536

IUPAC1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide
SMILESCCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCOC)cc(C)c21
InChIInChI=1S/C16H24N2O4S/c1-6-18-14-11(2)9-12(23(20,21)17-7-8-22-5)10-13(14)16(3,4)15(18)19/h9-10,17H,6-8H2,1-5H3
InChIKeyDYCGAWWDDAVTIS-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.56
Rot. Bonds6

About 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide

1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide (PubChem CID 56731536) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide
PubChem CID56731536
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide
SMILESCCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCOC)cc(C)c21
InChIInChI=1S/C16H24N2O4S/c1-6-18-14-11(2)9-12(23(20,21)17-7-8-22-5)10-13(14)16(3,4)15(18)19/h9-10,17H,6-8H2,1-5H3
InChIKeyDYCGAWWDDAVTIS-UHFFFAOYSA-N
XLogP1.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56731590
N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
CID 56731556
1-ethyl-3,3,7-trimethyl-2-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]indole-5-sulfonamide
CID 91957150
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 7574341
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
N-(2-methoxyethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 5189780
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide (CID 56731536) is 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide is CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCCOC)cc(C)c21.
What is the InChIKey of 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide?
The InChIKey is DYCGAWWDDAVTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-6-18-14-11(2)9-12(23(20,21)17-7-8-22-5)10-13(14)16(3,4)15(18)19/h9-10,17H,6-8H2,1-5H3.
What are the key properties of 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide?
1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 56731536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).