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

C21H26N2O4S — CID 5114863

IUPAC2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O4S/c1-2-3-6-14-22-21(24)16-27-18-9-11-19(12-10-18)28(25,26)23-15-13-17-7-4-5-8-20(17)23/h4-5,7-12H,2-3,6,13-16H2,1H3,(H,22,24)
InChIKeyUXYUKTATDLYKIX-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.12
Rot. Bonds9

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

2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide (PubChem CID 5114863) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide
PubChem CID5114863
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O4S/c1-2-3-6-14-22-21(24)16-27-18-9-11-19(12-10-18)28(25,26)23-15-13-17-7-4-5-8-20(17)23/h4-5,7-12H,2-3,6,13-16H2,1H3,(H,22,24)
InChIKeyUXYUKTATDLYKIX-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.12
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

2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-dimethylphenyl)acetamide
CID 3953512
2-(4-tert-butylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013636
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(3-hydroxypropyl)acetamide
CID 126396862
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28553982
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
(2R)-4-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125050718
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126396736

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide?
The IUPAC name of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide (CID 5114863) is 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide?
The canonical SMILES for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide is CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide?
The InChIKey is UXYUKTATDLYKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-2-3-6-14-22-21(24)16-27-18-9-11-19(12-10-18)28(25,26)23-15-13-17-7-4-5-8-20(17)23/h4-5,7-12H,2-3,6,13-16H2,1H3,(H,22,24).
What are the key properties of 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide?
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide has a molecular weight of 402.52 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide is sourced from PubChem (CID 5114863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).