2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide

C26H28N2O4S2 — CID 28555236

IUPAC2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)cc1
InChIInChI=1S/C26H28N2O4S2/c1-18-16-23(34(30,31)28-15-14-21-6-4-5-7-24(21)28)12-13-25(18)32-17-26(29)27-19(2)20-8-10-22(33-3)11-9-20/h4-13,16,19H,14-15,17H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyHMDZUXRYLBNLJI-LJQANCHMSA-N
MW496.65 g/mol
LogP4.72
Rot. Bonds8

About 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 28555236) has the molecular formula C26H28N2O4S2 and a molecular weight of 496.65 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID28555236
Molecular FormulaC26H28N2O4S2
Molecular Weight496.65 g/mol
Exact Mass496.15
IUPAC Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)cc1
InChIInChI=1S/C26H28N2O4S2/c1-18-16-23(34(30,31)28-15-14-21-6-4-5-7-24(21)28)12-13-25(18)32-17-26(29)27-19(2)20-8-10-22(33-3)11-9-20/h4-13,16,19H,14-15,17H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyHMDZUXRYLBNLJI-LJQANCHMSA-N
XLogP4.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43873573
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555210
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555218
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553982
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]acetamide
CID 28555324
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methylphenoxy]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873588
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553756
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28555911
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28555536
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554792
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555231
2-(4-bromo-2-methylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 3482740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide (CID 28555236) is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)cc1.
What is the InChIKey of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is HMDZUXRYLBNLJI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N2O4S2/c1-18-16-23(34(30,31)28-15-14-21-6-4-5-7-24(21)28)12-13-25(18)32-17-26(29)27-19(2)20-8-10-22(33-3)11-9-20/h4-13,16,19H,14-15,17H2,1-3H3,(H,27,29)/t19-/m1/s1.
What are the key properties of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide?
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 496.65 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 28555236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).