1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide

C22H28N2O4S — CID 17497175

IUPAC1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1
InChIInChI=1S/C22H28N2O4S/c1-22(2,3)17-6-8-18(9-7-17)28-14-4-5-21(25)24-13-12-16-15-19(29(23,26)27)10-11-20(16)24/h6-11,15H,4-5,12-14H2,1-3H3,(H2,23,26,27)
InChIKeyCSQSPAXRGUHWFC-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.38
Rot. Bonds6

About 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide

1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 17497175) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID17497175
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1
InChIInChI=1S/C22H28N2O4S/c1-22(2,3)17-6-8-18(9-7-17)28-14-4-5-21(25)24-13-12-16-15-19(29(23,26)27)10-11-20(16)24/h6-11,15H,4-5,12-14H2,1-3H3,(H2,23,26,27)
InChIKeyCSQSPAXRGUHWFC-UHFFFAOYSA-N
XLogP3.38
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide
CID 18207241
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
CID 46645204

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide (CID 17497175) is 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide is CC(C)(C)c1ccc(OCCCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1.
What is the InChIKey of 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CSQSPAXRGUHWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-22(2,3)17-6-8-18(9-7-17)28-14-4-5-21(25)24-13-12-16-15-19(29(23,26)27)10-11-20(16)24/h6-11,15H,4-5,12-14H2,1-3H3,(H2,23,26,27).
What are the key properties of 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide?
1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 416.54 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 17497175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).