4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide

C24H24N2O3S2 — CID 3797487

IUPAC4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1C
InChIInChI=1S/C24H24N2O3S2/c1-14-6-11-20-22(12-14)30-24(25-20)18-7-9-19(10-8-18)26-31(27,28)23-15(2)13-21(29-5)16(3)17(23)4/h6-13,26H,1-5H3
InChIKeyLLZHMTLFHUZQAK-UHFFFAOYSA-N
MW452.60 g/mol
LogP6.01
Rot. Bonds5

About 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide

4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 3797487) has the molecular formula C24H24N2O3S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID3797487
Molecular FormulaC24H24N2O3S2
Molecular Weight452.60 g/mol
Exact Mass452.12
IUPAC Name4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1C
InChIInChI=1S/C24H24N2O3S2/c1-14-6-11-20-22(12-14)30-24(25-20)18-7-9-19(10-8-18)26-31(27,28)23-15(2)13-21(29-5)16(3)17(23)4/h6-13,26H,1-5H3
InChIKeyLLZHMTLFHUZQAK-UHFFFAOYSA-N
XLogP6.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide 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

3,4-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2821932
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392639
2,3-dimethyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid
CID 58937151
N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]methanesulfonamide
CID 164804574
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900
4-acetyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392649
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46392642
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
4-(6-methyl-1,3-benzothiazol-2-yl)-N-(propylsulfamoyl)aniline
CID 110620092
1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740
2-chloro-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392689
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide (CID 3797487) is 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is LLZHMTLFHUZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S2/c1-14-6-11-20-22(12-14)30-24(25-20)18-7-9-19(10-8-18)26-31(27,28)23-15(2)13-21(29-5)16(3)17(23)4/h6-13,26H,1-5H3.
What are the key properties of 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide?
4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 452.60 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3797487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).