5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one

C14H12ClNOS — CID 61083583

IUPAC5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccsc1C(Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H12ClNOS/c1-8-4-5-18-14(8)13(15)9-2-3-11-10(6-9)7-12(17)16-11/h2-6,13H,7H2,1H3,(H,16,17)
InChIKeyYLNRJALGNPKPTA-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.88
Rot. Bonds2

About 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one

5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 61083583) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID61083583
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccsc1C(Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H12ClNOS/c1-8-4-5-18-14(8)13(15)9-2-3-11-10(6-9)7-12(17)16-11/h2-6,13H,7H2,1H3,(H,16,17)
InChIKeyYLNRJALGNPKPTA-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
7-[hydroxy-(3-methylthiophen-2-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61089554
7-[chloro-(3-methylthiophen-2-yl)methyl]-2-methyl-4H-isoquinoline-1,3-dione
CID 63105215
7-[amino-(3-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464752
5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 103400598
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
CID 107002627

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one (CID 61083583) is 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one is Cc1ccsc1C(Cl)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is YLNRJALGNPKPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c1-8-4-5-18-14(8)13(15)9-2-3-11-10(6-9)7-12(17)16-11/h2-6,13H,7H2,1H3,(H,16,17).
What are the key properties of 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 277.78 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61083583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).