N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide

C22H28N2O4S — CID 53105705

IUPACN-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C
InChIInChI=1S/C22H28N2O4S/c1-6-28-20-10-8-7-9-18(20)23-29(26,27)16-11-12-19-17(13-16)22(4,5)14-24(19)21(25)15(2)3/h7-13,15,23H,6,14H2,1-5H3
InChIKeyZLKNIOPNRXPASY-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.17
Rot. Bonds6

About N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide

N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide (PubChem CID 53105705) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
PubChem CID53105705
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C
InChIInChI=1S/C22H28N2O4S/c1-6-28-20-10-8-7-9-18(20)23-29(26,27)16-11-12-19-17(13-16)22(4,5)14-24(19)21(25)15(2)3/h7-13,15,23H,6,14H2,1-5H3
InChIKeyZLKNIOPNRXPASY-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105711
N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105642
N-[4-(diethylamino)-2-methylphenyl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105717
5-[(2-ethoxyphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058945
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 95084897
1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105742
1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105564
1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105534
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
1-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-3,3-dimethyl-2H-indol-1-yl]-2-methylpropan-1-one
CID 53105659
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide (CID 53105705) is N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C.
What is the InChIKey of N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The InChIKey is ZLKNIOPNRXPASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-6-28-20-10-8-7-9-18(20)23-29(26,27)16-11-12-19-17(13-16)22(4,5)14-24(19)21(25)15(2)3/h7-13,15,23H,6,14H2,1-5H3.
What are the key properties of N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide has a molecular weight of 416.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).