3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

C21H22N2O3S2 — CID 9192718

IUPAC3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)c(C)c1
InChIInChI=1S/C21H22N2O3S2/c1-13-8-14(2)19(15(3)9-13)18-11-27-21(22-18)23-20(24)17-7-5-6-16(10-17)12-28(4,25)26/h5-11H,12H2,1-4H3,(H,22,23,24)
InChIKeyRVUYEPNKBHICHW-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.53
Rot. Bonds5

About 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 9192718) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID9192718
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)c(C)c1
InChIInChI=1S/C21H22N2O3S2/c1-13-8-14(2)19(15(3)9-13)18-11-27-21(22-18)23-20(24)17-7-5-6-16(10-17)12-28(4,25)26/h5-11H,12H2,1-4H3,(H,22,23,24)
InChIKeyRVUYEPNKBHICHW-UHFFFAOYSA-N
XLogP4.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide 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

3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 27666286
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 26723789
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 58442475
3-(methylsulfonylmethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183831
2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 45354619
(2S)-2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 25492200
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 36539422
4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008359
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
3-(methylsulfonylmethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 43033712

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 9192718) is 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1cc(C)c(-c2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)c(C)c1.
What is the InChIKey of 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RVUYEPNKBHICHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-13-8-14(2)19(15(3)9-13)18-11-27-21(22-18)23-20(24)17-7-5-6-16(10-17)12-28(4,25)26/h5-11H,12H2,1-4H3,(H,22,23,24).
What are the key properties of 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 9192718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).