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

C19H29N3O3S — CID 46385628

IUPAC3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1
InChIInChI=1S/C19H29N3O3S/c1-4-9-20-26(24,25)15-7-8-17-16(12-15)19(2,3)14-22(17)13-18(23)21-10-5-6-11-21/h7-8,12,20H,4-6,9-11,13-14H2,1-3H3
InChIKeyAZZALVGLQLNCSU-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.09
Rot. Bonds6

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

3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide (PubChem CID 46385628) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide
PubChem CID46385628
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1
InChIInChI=1S/C19H29N3O3S/c1-4-9-20-26(24,25)15-7-8-17-16(12-15)19(2,3)14-22(17)13-18(23)21-10-5-6-11-21/h7-8,12,20H,4-6,9-11,13-14H2,1-3H3
InChIKeyAZZALVGLQLNCSU-UHFFFAOYSA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
CID 46385622
N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
CID 46385647
N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866
N-(2,3-dimethylphenyl)-2-(3,3-dimethyl-5-pyrrolidin-1-ylsulfonyl-2H-indol-1-yl)acetamide
CID 46385696
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625
2-morpholin-4-yl-5-(propylsulfamoyl)benzoic acid
CID 99981682
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
5-(3-methylbutylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
CID 99986428

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide?
The IUPAC name of 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide (CID 46385628) is 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide?
The canonical SMILES for 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide?
The InChIKey is AZZALVGLQLNCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-4-9-20-26(24,25)15-7-8-17-16(12-15)19(2,3)14-22(17)13-18(23)21-10-5-6-11-21/h7-8,12,20H,4-6,9-11,13-14H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide?
3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide has a molecular weight of 379.53 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propyl-2H-indole-5-sulfonamide is sourced from PubChem (CID 46385628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).