(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone

C22H16O2S2 — CID 15414607

IUPAC(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)sc2sc(C(=O)c3ccccc3)c(C)c12
InChIInChI=1S/C22H16O2S2/c1-13-17-14(2)21(19(24)16-11-7-4-8-12-16)26-22(17)25-20(13)18(23)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyGOUHGQKABXIVRR-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.04
Rot. Bonds4

About (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone

(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone (PubChem CID 15414607) has the molecular formula C22H16O2S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone
PubChem CID15414607
Molecular FormulaC22H16O2S2
Molecular Weight376.50 g/mol
Exact Mass376.06
IUPAC Name(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)sc2sc(C(=O)c3ccccc3)c(C)c12
InChIInChI=1S/C22H16O2S2/c1-13-17-14(2)21(19(24)16-11-7-4-8-12-16)26-22(17)25-20(13)18(23)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyGOUHGQKABXIVRR-UHFFFAOYSA-N
XLogP6.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-diamino-5-benzoylthieno[2,3-b]thiophen-2-yl)ethanone
CID 57149764
2-benzoyl-3-methyl-7-phenylthieno[2,3-b]pyridin-4-one
CID 141302111
2-benzoyl-3-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 18672006
3-benzoyl-4,5-dimethylthiophene-2-carboxylic acid
CID 11821344
ethyl 2-benzoyl-3,4-dimethyl-6-phenylthieno[2,3-b]pyrrole-5-carboxylate
CID 11384135
ethyl 2-amino-5-benzoyl-4-methylthiophene-3-carboxylate
CID 53364230
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
2-bromo-1-[5-(2-bromoacetyl)-3-methyl-4-phenylthieno[2,3-b]thiophen-2-yl]ethanone
CID 102137065
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838

Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone?
The IUPAC name of (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone (CID 15414607) is (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone?
The canonical SMILES for (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)sc2sc(C(=O)c3ccccc3)c(C)c12.
What is the InChIKey of (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone?
The InChIKey is GOUHGQKABXIVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2S2/c1-13-17-14(2)21(19(24)16-11-7-4-8-12-16)26-22(17)25-20(13)18(23)15-9-5-3-6-10-15/h3-12H,1-2H3.
What are the key properties of (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone?
(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone has a molecular weight of 376.50 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 15414607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).