2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide

C16H23N3O4S — CID 112990704

IUPAC2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H23N3O4S/c1-3-4-8-17-16(21)11-18-24(22,23)14-5-6-15-13(10-14)7-9-19(15)12(2)20/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,17,21)
InChIKeyMGBSIPLVWIVFSI-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.79
Rot. Bonds7

About 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide (PubChem CID 112990704) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
PubChem CID112990704
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H23N3O4S/c1-3-4-8-17-16(21)11-18-24(22,23)14-5-6-15-13(10-14)7-9-19(15)12(2)20/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,17,21)
InChIKeyMGBSIPLVWIVFSI-UHFFFAOYSA-N
XLogP0.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 20856565
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
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
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide (CID 112990704) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide is CCCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide?
The InChIKey is MGBSIPLVWIVFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-3-4-8-17-16(21)11-18-24(22,23)14-5-6-15-13(10-14)7-9-19(15)12(2)20/h5-6,10,18H,3-4,7-9,11H2,1-2H3,(H,17,21).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide?
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide has a molecular weight of 353.44 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide is sourced from PubChem (CID 112990704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).