thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

C18H22N2O3S2 — CID 1179346

IUPACthiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-11-14(2)17(15(3)12-13)25(22,23)20-8-6-19(7-9-20)18(21)16-5-4-10-24-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyNJTAGSUKUUIVFT-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.82
Rot. Bonds3

About thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 1179346) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID1179346
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Namethiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-11-14(2)17(15(3)12-13)25(22,23)20-8-6-19(7-9-20)18(21)16-5-4-10-24-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyNJTAGSUKUUIVFT-UHFFFAOYSA-N
XLogP2.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-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 thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 1179346) is thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1.
What is the InChIKey of thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is NJTAGSUKUUIVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-11-14(2)17(15(3)12-13)25(22,23)20-8-6-19(7-9-20)18(21)16-5-4-10-24-16/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 1179346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).