2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

C18H18N2O2S — CID 2997806

IUPAC2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O2S/c21-17(20-11-9-13-5-1-2-6-14(13)20)15-7-3-10-19(15)18(22)16-8-4-12-23-16/h1-2,4-6,8,12,15H,3,7,9-11H2
InChIKeyANIBQKCNUYOYIE-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.94
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 2997806) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID2997806
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O2S/c21-17(20-11-9-13-5-1-2-6-14(13)20)15-7-3-10-19(15)18(22)16-8-4-12-23-16/h1-2,4-6,8,12,15H,3,7,9-11H2
InChIKeyANIBQKCNUYOYIE-UHFFFAOYSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
Indolin-1-yl(5-nitrothiophen-2-yl)methanone
CID 4609811
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 17413594
1-[3-(2-Thienyl)acryloyl]indoline
CID 885474
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 59401768
N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 59401859
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
[4-(2-Methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanone
CID 1246661
1-methyl-3-[2-oxo-2-(2-thienyl)ethylidene]-1,3-dihydro-2H-indol-2-one
CID 2199895
2,3-Dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 2576382

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone (CID 2997806) is 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone is O=C(C1CCCN1C(=O)c1cccs1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is ANIBQKCNUYOYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-17(20-11-9-13-5-1-2-6-14(13)20)15-7-3-10-19(15)18(22)16-8-4-12-23-16/h1-2,4-6,8,12,15H,3,7,9-11H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
2,3-dihydroindol-1-yl-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 326.42 g/mol, XLogP of 2.94, 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-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 2997806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).