N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide

C17H26N2O3S — CID 71918240

IUPACN-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
SMILESCCCCN1CCc2ccc(NC(=O)CS(=O)(=O)CCC)cc21
InChIInChI=1S/C17H26N2O3S/c1-3-5-9-19-10-8-14-6-7-15(12-16(14)19)18-17(20)13-23(21,22)11-4-2/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,20)
InChIKeyWDDVJTMGFMZKKK-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.61
Rot. Bonds8

About N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide

N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide (PubChem CID 71918240) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
PubChem CID71918240
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
SMILESCCCCN1CCc2ccc(NC(=O)CS(=O)(=O)CCC)cc21
InChIInChI=1S/C17H26N2O3S/c1-3-5-9-19-10-8-14-6-7-15(12-16(14)19)18-17(20)13-23(21,22)11-4-2/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,20)
InChIKeyWDDVJTMGFMZKKK-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71918236
N,1-dipentyl-2,3-dihydroindol-6-amine
CID 70410805
1-(1-butyl-2,3-dihydroindol-6-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71917851
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
CID 112506348
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
N-(3-aminophenyl)-2-propylsulfonylacetamide
CID 43444789
1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea
CID 110623674
3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
CID 110729245
N-[1-(2-ethoxyethyl)-2,3-dihydroindol-6-yl]benzamide
CID 142743444
N-(1-ethyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenoxy)acetamide
CID 166188945

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide?
The IUPAC name of N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide (CID 71918240) is N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide.
What is the SMILES notation for N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide?
The canonical SMILES for N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide is CCCCN1CCc2ccc(NC(=O)CS(=O)(=O)CCC)cc21.
What is the InChIKey of N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide?
The InChIKey is WDDVJTMGFMZKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-5-9-19-10-8-14-6-7-15(12-16(14)19)18-17(20)13-23(21,22)11-4-2/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,20).
What are the key properties of N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide?
N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide has a molecular weight of 338.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide is sourced from PubChem (CID 71918240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).