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

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Related Compounds

1-(Benzothiophen-2-ylmethyl)-5-iodo-indoline-2,3-dione
CID 11796320
1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-yl]-2,2,2-trifluoroethan-1-one
CID 25023801
1-(2-thienylmethyl)-1H-indole-2,3-dione
CID 2996126
1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-yl]-2,2-difluoroethan-1-one
CID 25023808
(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
CID 977927
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1215015
1-{4-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
CID 1245607
Indolin-1-yl(5-nitrothiophen-2-yl)methanone
CID 4609811
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248
5-ethyl-N-isopropyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16193902

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).