2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide

C26H27BrN2O4S — CID 17189506

IUPAC2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(Br)c1
InChIInChI=1S/C26H27BrN2O4S/c1-3-18(2)20-8-13-25(23(27)16-20)33-17-26(30)28-21-9-11-22(12-10-21)34(31,32)29-15-14-19-6-4-5-7-24(19)29/h4-13,16,18H,3,14-15,17H2,1-2H3,(H,28,30)
InChIKeyXHZUDFWDSMNEKW-UHFFFAOYSA-N
MW543.48 g/mol
LogP5.73
Rot. Bonds8

About 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide

2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide (PubChem CID 17189506) has the molecular formula C26H27BrN2O4S and a molecular weight of 543.48 g/mol. Its IUPAC name is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
PubChem CID17189506
Molecular FormulaC26H27BrN2O4S
Molecular Weight543.48 g/mol
Exact Mass542.09
IUPAC Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(Br)c1
InChIInChI=1S/C26H27BrN2O4S/c1-3-18(2)20-8-13-25(23(27)16-20)33-17-26(30)28-21-9-11-22(12-10-21)34(31,32)29-15-14-19-6-4-5-7-24(19)29/h4-13,16,18H,3,14-15,17H2,1-2H3,(H,28,30)
InChIKeyXHZUDFWDSMNEKW-UHFFFAOYSA-N
XLogP5.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide with MolForge

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Related Compounds

2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013039
2-(4-bromo-2-methylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 3482740
1-[4-[(2R)-butan-2-yl]phenyl]-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]thiourea
CID 29057476
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17189555
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
2-(4-tert-butylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013636
N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17189464
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28555911
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126394310
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide (CID 17189506) is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide?
The InChIKey is XHZUDFWDSMNEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O4S/c1-3-18(2)20-8-13-25(23(27)16-20)33-17-26(30)28-21-9-11-22(12-10-21)34(31,32)29-15-14-19-6-4-5-7-24(19)29/h4-13,16,18H,3,14-15,17H2,1-2H3,(H,28,30).
What are the key properties of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide?
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide has a molecular weight of 543.48 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 17189506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).