[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone

C20H12O2S2 — CID 5082064

IUPAC[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1
InChIInChI=1S/C20H12O2S2/c21-19(17-7-3-9-23-17)15-11-13-5-1-2-6-14(13)12-16(15)20(22)18-8-4-10-24-18/h1-12H
InChIKeyZATDFOJEWDCNEZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.42
Rot. Bonds4

About [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone

[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone (PubChem CID 5082064) has the molecular formula C20H12O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
PubChem CID5082064
Molecular FormulaC20H12O2S2
Molecular Weight348.45 g/mol
Exact Mass348.03
IUPAC Name[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1
InChIInChI=1S/C20H12O2S2/c21-19(17-7-3-9-23-17)15-11-13-5-1-2-6-14(13)12-16(15)20(22)18-8-4-10-24-18/h1-12H
InChIKeyZATDFOJEWDCNEZ-UHFFFAOYSA-N
XLogP5.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
1H-indol-2-yl(thiophen-2-yl)methanone
CID 102431205
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
(5-amino-2-chlorophenyl)-thiophen-2-ylmethanone
CID 54011537
N-[2-(thiophene-2-carbonyl)phenyl]acetamide
CID 18987253
isoquinolin-8-yl(thiophen-2-yl)methanone
CID 103133963
(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
CID 13404184
(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
CID 134835171

Frequently Asked Questions

What is the IUPAC name of [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone (CID 5082064) is [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1.
What is the InChIKey of [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone?
The InChIKey is ZATDFOJEWDCNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O2S2/c21-19(17-7-3-9-23-17)15-11-13-5-1-2-6-14(13)12-16(15)20(22)18-8-4-10-24-18/h1-12H.
What are the key properties of [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone?
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone has a molecular weight of 348.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 5082064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).