2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone

C16H17NOS — CID 2576382

IUPAC2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
SMILESCCc1sc(C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C16H17NOS/c1-3-14-11(2)10-15(19-14)16(18)17-9-8-12-6-4-5-7-13(12)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyKPGKYXJUDJZUCU-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.82
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone

2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone (PubChem CID 2576382) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
PubChem CID2576382
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
SMILESCCc1sc(C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C16H17NOS/c1-3-14-11(2)10-15(19-14)16(18)17-9-8-12-6-4-5-7-13(12)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyKPGKYXJUDJZUCU-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone (CID 2576382) is 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone is CCc1sc(C(=O)N2CCc3ccccc32)cc1C.
What is the InChIKey of 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone?
The InChIKey is KPGKYXJUDJZUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-3-14-11(2)10-15(19-14)16(18)17-9-8-12-6-4-5-7-13(12)17/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone?
2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone has a molecular weight of 271.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 2576382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).