N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide

C23H25N3O3S2 — CID 55762289

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cs2)cc1
InChIInChI=1S/C23H25N3O3S2/c1-2-17-7-9-19(10-8-17)23-25-20(16-30-23)15-22(27)24-12-14-31(28,29)26-13-11-18-5-3-4-6-21(18)26/h3-10,16H,2,11-15H2,1H3,(H,24,27)
InChIKeyMYZUEVVGZQRTQE-UHFFFAOYSA-N
MW455.61 g/mol
LogP3.42
Rot. Bonds8

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55762289) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID55762289
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cs2)cc1
InChIInChI=1S/C23H25N3O3S2/c1-2-17-7-9-19(10-8-17)23-25-20(16-30-23)15-22(27)24-12-14-31(28,29)26-13-11-18-5-3-4-6-21(18)26/h3-10,16H,2,11-15H2,1H3,(H,24,27)
InChIKeyMYZUEVVGZQRTQE-UHFFFAOYSA-N
XLogP3.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
N-[2-(benzenesulfonyl)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60515359
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111635607
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55662640
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55662815
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55956493
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 43006465

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide (CID 55762289) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide is CCc1ccc(-c2nc(CC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cs2)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is MYZUEVVGZQRTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-2-17-7-9-19(10-8-17)23-25-20(16-30-23)15-22(27)24-12-14-31(28,29)26-13-11-18-5-3-4-6-21(18)26/h3-10,16H,2,11-15H2,1H3,(H,24,27).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 455.61 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55762289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).