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

C14H11NO2S — CID 43462953

IUPAC5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
SMILESCc1ccsc1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H11NO2S/c1-8-4-5-18-14(8)13(17)9-2-3-11-10(6-9)7-12(16)15-11/h2-6H,7H2,1H3,(H,15,16)
InChIKeyHXLROENLBIJHMH-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.78
Rot. Bonds2

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

5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 43462953) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
PubChem CID43462953
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
SMILESCc1ccsc1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H11NO2S/c1-8-4-5-18-14(8)13(17)9-2-3-11-10(6-9)7-12(16)15-11/h2-6H,7H2,1H3,(H,15,16)
InChIKeyHXLROENLBIJHMH-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79985362
2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone
CID 116554116
5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79981848
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43338590
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 81126938
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one (CID 43462953) is 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one is Cc1ccsc1C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is HXLROENLBIJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-8-4-5-18-14(8)13(17)9-2-3-11-10(6-9)7-12(16)15-11/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one?
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 257.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43462953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).