3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide

C23H29N3O3S — CID 46385622

IUPAC3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1
InChIInChI=1S/C23H29N3O3S/c1-17-8-4-5-9-20(17)24-30(28,29)18-10-11-21-19(14-18)23(2,3)16-26(21)15-22(27)25-12-6-7-13-25/h4-5,8-11,14,24H,6-7,12-13,15-16H2,1-3H3
InChIKeyYEEPMRGNAABSLU-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.52
Rot. Bonds5

About 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide

3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide (PubChem CID 46385622) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
PubChem CID46385622
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1
InChIInChI=1S/C23H29N3O3S/c1-17-8-4-5-9-20(17)24-30(28,29)18-10-11-21-19(14-18)23(2,3)16-26(21)15-22(27)25-12-6-7-13-25/h4-5,8-11,14,24H,6-7,12-13,15-16H2,1-3H3
InChIKeyYEEPMRGNAABSLU-UHFFFAOYSA-N
XLogP3.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide
CID 46385628
N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
CID 46385647
N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
CID 46385696
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025563
1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105534
N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105705
N-(4-fluoro-2-methylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105711
N-[4-(diethylamino)-2-methylphenyl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105717
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 16573863
3-(1,4-diazepane-1-carbonyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119416470
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide (CID 46385622) is 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide?
The InChIKey is YEEPMRGNAABSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-17-8-4-5-9-20(17)24-30(28,29)18-10-11-21-19(14-18)23(2,3)16-26(21)15-22(27)25-12-6-7-13-25/h4-5,8-11,14,24H,6-7,12-13,15-16H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide?
3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide has a molecular weight of 427.57 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide is sourced from PubChem (CID 46385622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).