2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide

C26H27ClN2O4S — CID 126394310

IUPAC2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl
InChIInChI=1S/C26H27ClN2O4S/c1-3-18-9-7-10-19(4-2)26(18)28-25(30)17-33-24-13-12-21(16-22(24)27)34(31,32)29-15-14-20-8-5-6-11-23(20)29/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,28,30)
InChIKeyIWIFWLKIQMSGTE-UHFFFAOYSA-N
MW499.03 g/mol
LogP5.23
Rot. Bonds8

About 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide (PubChem CID 126394310) has the molecular formula C26H27ClN2O4S and a molecular weight of 499.03 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide
PubChem CID126394310
Molecular FormulaC26H27ClN2O4S
Molecular Weight499.03 g/mol
Exact Mass498.14
IUPAC Name2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl
InChIInChI=1S/C26H27ClN2O4S/c1-3-18-9-7-10-19(4-2)26(18)28-25(30)17-33-24-13-12-21(16-22(24)27)34(31,32)29-15-14-20-8-5-6-11-23(20)29/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,28,30)
InChIKeyIWIFWLKIQMSGTE-UHFFFAOYSA-N
XLogP5.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.03
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate
CID 126396064
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide
CID 6491405
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide
CID 126396862
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28555911
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 133239020
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 3953512
2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013039
N-(2,6-diethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126397479
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 17189506
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-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide (CID 126394310) is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is IWIFWLKIQMSGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4S/c1-3-18-9-7-10-19(4-2)26(18)28-25(30)17-33-24-13-12-21(16-22(24)27)34(31,32)29-15-14-20-8-5-6-11-23(20)29/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide?
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 499.03 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 126394310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).