(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone

C14H14O3S2 — CID 43339488

IUPAC(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c(C)s1
InChIInChI=1S/C14H14O3S2/c1-9-8-13(10(2)18-9)14(15)11-4-6-12(7-5-11)19(3,16)17/h4-8H,1-3H3
InChIKeyFISHRJLXUBLYTL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.00
Rot. Bonds3

About (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone

(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone (PubChem CID 43339488) has the molecular formula C14H14O3S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
PubChem CID43339488
Molecular FormulaC14H14O3S2
Molecular Weight294.40 g/mol
Exact Mass294.04
IUPAC Name(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c(C)s1
InChIInChI=1S/C14H14O3S2/c1-9-8-13(10(2)18-9)14(15)11-4-6-12(7-5-11)19(3,16)17/h4-8H,1-3H3
InChIKeyFISHRJLXUBLYTL-UHFFFAOYSA-N
XLogP3.00
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanone
CID 43338791
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
CID 43339479
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 43337472
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
bis(2-methyl-4-methylsulfonylphenyl)methanone
CID 141299848
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(4-methylsulfonylphenyl)methanone
CID 11842444

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone (CID 43339488) is (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone is Cc1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is FISHRJLXUBLYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S2/c1-9-8-13(10(2)18-9)14(15)11-4-6-12(7-5-11)19(3,16)17/h4-8H,1-3H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone?
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 294.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 43339488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).