2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone

C17H16N2OS — CID 20877144

IUPAC2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCCn1c(C(=O)N2CCc3ccccc32)cc2sccc21
InChIInChI=1S/C17H16N2OS/c1-2-18-14-8-10-21-16(14)11-15(18)17(20)19-9-7-12-5-3-4-6-13(12)19/h3-6,8,10-11H,2,7,9H2,1H3
InChIKeyFUABBHNKLZWRGW-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.93
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone

2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 20877144) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID20877144
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCCn1c(C(=O)N2CCc3ccccc32)cc2sccc21
InChIInChI=1S/C17H16N2OS/c1-2-18-14-8-10-21-16(14)11-15(18)17(20)19-9-7-12-5-3-4-6-13(12)19/h3-6,8,10-11H,2,7,9H2,1H3
InChIKeyFUABBHNKLZWRGW-UHFFFAOYSA-N
XLogP3.93
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4156356
7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione
CID 26681014
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62490914
3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46923245
ethyl 4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438909
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone (CID 20877144) is 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone is CCn1c(C(=O)N2CCc3ccccc32)cc2sccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is FUABBHNKLZWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-18-14-8-10-21-16(14)11-15(18)17(20)19-9-7-12-5-3-4-6-13(12)19/h3-6,8,10-11H,2,7,9H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone?
2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 296.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 20877144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).