7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one

C17H19NO2S — CID 82172971

IUPAC7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(O)Cc2cccs2)cc2c1NC(=O)C2C
InChIInChI=1S/C17H19NO2S/c1-3-11-7-12(15(19)9-13-5-4-6-21-13)8-14-10(2)17(20)18-16(11)14/h4-8,10,15,19H,3,9H2,1-2H3,(H,18,20)
InChIKeyVKCGLFPHLHAJDF-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.64
Rot. Bonds4

About 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one

7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82172971) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID82172971
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(O)Cc2cccs2)cc2c1NC(=O)C2C
InChIInChI=1S/C17H19NO2S/c1-3-11-7-12(15(19)9-13-5-4-6-21-13)8-14-10(2)17(20)18-16(11)14/h4-8,10,15,19H,3,9H2,1-2H3,(H,18,20)
InChIKeyVKCGLFPHLHAJDF-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82172104
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172787
7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
CID 82173542
7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173571
5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82174352
6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174207
1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
1-(5-chlorothiophen-3-yl)-2-thiophen-2-ylethanol
CID 130767599
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one (CID 82172971) is 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one is CCc1cc(C(O)Cc2cccs2)cc2c1NC(=O)C2C.
What is the InChIKey of 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is VKCGLFPHLHAJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-11-7-12(15(19)9-13-5-4-6-21-13)8-14-10(2)17(20)18-16(11)14/h4-8,10,15,19H,3,9H2,1-2H3,(H,18,20).
What are the key properties of 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one?
7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 301.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-(1-hydroxy-2-thiophen-2-ylethyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).