N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide

C21H24N2O2S2 — CID 53036276

IUPACN-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c(C)c1
InChIInChI=1S/C21H24N2O2S2/c1-13(2)18-8-7-17(20-12-26-16(5)22-20)11-21(18)27(24,25)23-19-9-6-14(3)10-15(19)4/h6-13,23H,1-5H3
InChIKeyQLIBVMPEPMRAMD-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.66
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide

N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 53036276) has the molecular formula C21H24N2O2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
PubChem CID53036276
Molecular FormulaC21H24N2O2S2
Molecular Weight400.57 g/mol
Exact Mass400.13
IUPAC NameN-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c(C)c1
InChIInChI=1S/C21H24N2O2S2/c1-13(2)18-8-7-17(20-12-26-16(5)22-20)11-21(18)27(24,25)23-19-9-6-14(3)10-15(19)4/h6-13,23H,1-5H3
InChIKeyQLIBVMPEPMRAMD-UHFFFAOYSA-N
XLogP5.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 15560939
N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53036288
N-(2-chloro-4,6-dimethoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53117901
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 164863451
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974264
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole
CID 53117882

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide (CID 53036276) is N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is QLIBVMPEPMRAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S2/c1-13(2)18-8-7-17(20-12-26-16(5)22-20)11-21(18)27(24,25)23-19-9-6-14(3)10-15(19)4/h6-13,23H,1-5H3.
What are the key properties of N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide?
N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 400.57 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 53036276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).