2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide

C22H25ClN2O4S — CID 6491405

IUPAC2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NC1CCCCC1
InChIInChI=1S/C22H25ClN2O4S/c23-19-14-18(30(27,28)25-13-12-16-6-4-5-9-20(16)25)10-11-21(19)29-15-22(26)24-17-7-2-1-3-8-17/h4-6,9-11,14,17H,1-3,7-8,12-13,15H2,(H,24,26)
InChIKeyOCDXQLUXQOUCNQ-UHFFFAOYSA-N
MW448.97 g/mol
LogP3.92
Rot. Bonds6

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

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide (PubChem CID 6491405) has the molecular formula C22H25ClN2O4S and a molecular weight of 448.97 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide
PubChem CID6491405
Molecular FormulaC22H25ClN2O4S
Molecular Weight448.97 g/mol
Exact Mass448.12
IUPAC Name2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NC1CCCCC1
InChIInChI=1S/C22H25ClN2O4S/c23-19-14-18(30(27,28)25-13-12-16-6-4-5-9-20(16)25)10-11-21(19)29-15-22(26)24-17-7-2-1-3-8-17/h4-6,9-11,14,17H,1-3,7-8,12-13,15H2,(H,24,26)
InChIKeyOCDXQLUXQOUCNQ-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,6-diethylphenyl)acetamide
CID 126394310
[2-(cyclohexylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551475
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28555911
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]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 133239020
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555231
[2-(cyclohexylamino)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16531679
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide (CID 6491405) is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide is O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NC1CCCCC1.
What is the InChIKey of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide?
The InChIKey is OCDXQLUXQOUCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4S/c23-19-14-18(30(27,28)25-13-12-16-6-4-5-9-20(16)25)10-11-21(19)29-15-22(26)24-17-7-2-1-3-8-17/h4-6,9-11,14,17H,1-3,7-8,12-13,15H2,(H,24,26).
What are the key properties of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide?
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide has a molecular weight of 448.97 g/mol, XLogP of 3.92, 6 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-cyclohexylacetamide is sourced from PubChem (CID 6491405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).