1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide

C18H27N3O3S — CID 112504860

IUPAC1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(C)(C)N3CCCC3)ccc21
InChIInChI=1S/C18H27N3O3S/c1-14(22)21-11-8-15-12-16(6-7-17(15)21)25(23,24)19-13-18(2,3)20-9-4-5-10-20/h6-7,12,19H,4-5,8-11,13H2,1-3H3
InChIKeyDOXZULOAXLLTGY-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.75
Rot. Bonds5

About 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 112504860) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID112504860
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(C)(C)N3CCCC3)ccc21
InChIInChI=1S/C18H27N3O3S/c1-14(22)21-11-8-15-12-16(6-7-17(15)21)25(23,24)19-13-18(2,3)20-9-4-5-10-20/h6-7,12,19H,4-5,8-11,13H2,1-3H3
InChIKeyDOXZULOAXLLTGY-UHFFFAOYSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
CID 166596719
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974086

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide (CID 112504860) is 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCC(C)(C)N3CCCC3)ccc21.
What is the InChIKey of 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DOXZULOAXLLTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14(22)21-11-8-15-12-16(6-7-17(15)21)25(23,24)19-13-18(2,3)20-9-4-5-10-20/h6-7,12,19H,4-5,8-11,13H2,1-3H3.
What are the key properties of 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 112504860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).