1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C20H24N2O3S — CID 110671515

IUPAC1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3C(C)C)ccc21
InChIInChI=1S/C20H24N2O3S/c1-14(2)19-7-5-4-6-17(19)13-21-26(24,25)18-8-9-20-16(12-18)10-11-22(20)15(3)23/h4-9,12,14,21H,10-11,13H2,1-3H3
InChIKeyWAQUMDZIURUSIF-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.20
Rot. Bonds5

About 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 110671515) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID110671515
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3C(C)C)ccc21
InChIInChI=1S/C20H24N2O3S/c1-14(2)19-7-5-4-6-17(19)13-21-26(24,25)18-8-9-20-16(12-18)10-11-22(20)15(3)23/h4-9,12,14,21H,10-11,13H2,1-3H3
InChIKeyWAQUMDZIURUSIF-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110324349
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 110671515) is 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3C(C)C)ccc21.
What is the InChIKey of 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WAQUMDZIURUSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(2)19-7-5-4-6-17(19)13-21-26(24,25)18-8-9-20-16(12-18)10-11-22(20)15(3)23/h4-9,12,14,21H,10-11,13H2,1-3H3.
What are the key properties of 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110671515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).