(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C18H16FNO2S — CID 51948028

IUPAC(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@H]2c2ccsc2)oc2c(F)cccc12
InChIInChI=1S/C18H16FNO2S/c1-11-13-4-2-5-14(19)17(13)22-16(11)18(21)20-8-3-6-15(20)12-7-9-23-10-12/h2,4-5,7,9-10,15H,3,6,8H2,1H3/t15-/m0/s1
InChIKeyBVMJKLNICAIIGZ-HNNXBMFYSA-N
MW329.40 g/mol
LogP4.92
Rot. Bonds2

About (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51948028) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51948028
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC Name(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@H]2c2ccsc2)oc2c(F)cccc12
InChIInChI=1S/C18H16FNO2S/c1-11-13-4-2-5-14(19)17(13)22-16(11)18(21)20-8-3-6-15(20)12-7-9-23-10-12/h2,4-5,7,9-10,15H,3,6,8H2,1H3/t15-/m0/s1
InChIKeyBVMJKLNICAIIGZ-HNNXBMFYSA-N
XLogP4.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115497489
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 106544997
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172110
(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51947990
1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 24793266
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
CID 45209394

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51948028) is (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCC[C@H]2c2ccsc2)oc2c(F)cccc12.
What is the InChIKey of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is BVMJKLNICAIIGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-11-13-4-2-5-14(19)17(13)22-16(11)18(21)20-8-3-6-15(20)12-7-9-23-10-12/h2,4-5,7,9-10,15H,3,6,8H2,1H3/t15-/m0/s1.
What are the key properties of (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51948028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).