5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one

C15H13NO2S — CID 79985362

IUPAC5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
SMILESCCc1ccsc1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H13NO2S/c1-2-9-5-6-19-15(9)14(18)10-3-4-12-11(7-10)8-13(17)16-12/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyZONZXJCIKXCUFR-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.04
Rot. Bonds3

About 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one

5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 79985362) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
PubChem CID79985362
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
SMILESCCc1ccsc1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H13NO2S/c1-2-9-5-6-19-15(9)14(18)10-3-4-12-11(7-10)8-13(17)16-12/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyZONZXJCIKXCUFR-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
(3-ethylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79985945
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 81126938
2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710703
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
CID 62198656

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one (CID 79985362) is 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one is CCc1ccsc1C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is ZONZXJCIKXCUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-9-5-6-19-15(9)14(18)10-3-4-12-11(7-10)8-13(17)16-12/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 271.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79985362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).