N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C19H22N2O4S — CID 113099946

IUPACN-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCc1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C19H22N2O4S/c1-3-14-6-4-5-7-18(14)25-11-10-20-26(23,24)16-8-9-17-15(12-16)13-19(22)21(17)2/h4-9,12,20H,3,10-11,13H2,1-2H3
InChIKeyPYSZCQKZCOPVGP-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.13
Rot. Bonds7

About N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 113099946) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID113099946
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCc1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C19H22N2O4S/c1-3-14-6-4-5-7-18(14)25-11-10-20-26(23,24)16-8-9-17-15(12-16)13-19(22)21(17)2/h4-9,12,20H,3,10-11,13H2,1-2H3
InChIKeyPYSZCQKZCOPVGP-UHFFFAOYSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.13
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-(2-fluorophenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099232
N-[2-(2,4-dimethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113100921
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 113083966
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
N-[2-(4-ethoxyphenoxy)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 17460804
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 110722075
1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide
CID 110323374

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 113099946) is N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CCc1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is PYSZCQKZCOPVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-14-6-4-5-7-18(14)25-11-10-20-26(23,24)16-8-9-17-15(12-16)13-19(22)21(17)2/h4-9,12,20H,3,10-11,13H2,1-2H3.
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 113099946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).