N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide

C14H20N2O4S — CID 56731590

IUPACN-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H20N2O4S/c1-9-7-10(21(18,19)15-5-6-20-4)8-11-12(9)16-13(17)14(11,2)3/h7-8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyNYGJIPAMVSLTDP-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.15
Rot. Bonds5

About N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide

N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 56731590) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID56731590
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCOCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H20N2O4S/c1-9-7-10(21(18,19)15-5-6-20-4)8-11-12(9)16-13(17)14(11,2)3/h7-8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyNYGJIPAMVSLTDP-UHFFFAOYSA-N
XLogP1.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.15
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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Related Compounds

3,3,7-trimethyl-2-oxo-N-prop-2-enyl-1H-indole-5-sulfonamide
CID 56731610
3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide
CID 171133386
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
CID 171138546
1-ethyl-N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxoindole-5-sulfonamide
CID 56731536
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
N-butyl-1,3,3,7-tetramethyl-2-oxoindole-5-sulfonamide
CID 56731556
methyl (2S)-2-hydroxy-4-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]butanoate
CID 138009311
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide (CID 56731590) is N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide is COCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is NYGJIPAMVSLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-7-10(21(18,19)15-5-6-20-4)8-11-12(9)16-13(17)14(11,2)3/h7-8,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide?
N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 56731590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).