(4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C17H20N2O3S2 — CID 1245585

IUPAC(4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)sc1-c1ccccc1
InChIInChI=1S/C17H20N2O3S2/c1-13-12-15(23-16(13)14-6-4-3-5-7-14)17(20)18-8-10-19(11-9-18)24(2,21)22/h3-7,12H,8-11H2,1-2H3
InChIKeyRTQGDNWORIEFLT-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.44
Rot. Bonds3

About (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 1245585) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID1245585
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name(4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)sc1-c1ccccc1
InChIInChI=1S/C17H20N2O3S2/c1-13-12-15(23-16(13)14-6-4-3-5-7-14)17(20)18-8-10-19(11-9-18)24(2,21)22/h3-7,12H,8-11H2,1-2H3
InChIKeyRTQGDNWORIEFLT-UHFFFAOYSA-N
XLogP2.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 1245585) is (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)sc1-c1ccccc1.
What is the InChIKey of (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RTQGDNWORIEFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-12-15(23-16(13)14-6-4-3-5-7-14)17(20)18-8-10-19(11-9-18)24(2,21)22/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-phenylthiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 1245585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).