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

C17H25N3O4S — CID 112995217

IUPAC2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCCC(C)C)ccc21
InChIInChI=1S/C17H25N3O4S/c1-12(2)6-8-18-17(22)11-19-25(23,24)15-4-5-16-14(10-15)7-9-20(16)13(3)21/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyVLPDYKNHAFLNDO-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.04
Rot. Bonds7

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

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide (PubChem CID 112995217) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
PubChem CID112995217
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCCC(C)C)ccc21
InChIInChI=1S/C17H25N3O4S/c1-12(2)6-8-18-17(22)11-19-25(23,24)15-4-5-16-14(10-15)7-9-20(16)13(3)21/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyVLPDYKNHAFLNDO-UHFFFAOYSA-N
XLogP1.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
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-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 20858685
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide (CID 112995217) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide is CC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCCC(C)C)ccc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is VLPDYKNHAFLNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12(2)6-8-18-17(22)11-19-25(23,24)15-4-5-16-14(10-15)7-9-20(16)13(3)21/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,18,22).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide?
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 1.04, 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 112995217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).