5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one

C17H19NO2S — CID 82172714

IUPAC5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cc(C(O)c2cccs2)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C17H19NO2S/c1-4-10-8-11(15(19)13-6-5-7-21-13)14-12(9-10)17(2,3)16(20)18-14/h5-9,15,19H,4H2,1-3H3,(H,18,20)
InChIKeyVDNGGKKUYNIZDM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.62
Rot. Bonds3

About 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one

5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 82172714) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID82172714
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cc(C(O)c2cccs2)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C17H19NO2S/c1-4-10-8-11(15(19)13-6-5-7-21-13)14-12(9-10)17(2,3)16(20)18-14/h5-9,15,19H,4H2,1-3H3,(H,18,20)
InChIKeyVDNGGKKUYNIZDM-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one
CID 82172700
7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one
CID 82172695
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 82172433
5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 82173214
(3,4-diethylphenyl)-thiophen-2-ylmethanol
CID 115482624
6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174207
5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one
CID 82172867
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
CID 5061929
1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133131
1-(4-ethylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
CID 62052839

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one (CID 82172714) is 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one is CCc1cc(C(O)c2cccs2)c2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is VDNGGKKUYNIZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-4-10-8-11(15(19)13-6-5-7-21-13)14-12(9-10)17(2,3)16(20)18-14/h5-9,15,19H,4H2,1-3H3,(H,18,20).
What are the key properties of 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one?
5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 301.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82172714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).