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

C21H24N2O2S2 — CID 53036288

IUPACN-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1
InChIInChI=1S/C21H24N2O2S2/c1-14(2)19-11-8-17(20-13-26-16(4)22-20)12-21(19)27(24,25)23(5)18-9-6-15(3)7-10-18/h6-14H,1-5H3
InChIKeyUWIGKGDOFNMOEL-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.38
Rot. Bonds5

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

N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 53036288) has the molecular formula C21H24N2O2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
PubChem CID53036288
Molecular FormulaC21H24N2O2S2
Molecular Weight400.57 g/mol
Exact Mass400.13
IUPAC NameN-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1
InChIInChI=1S/C21H24N2O2S2/c1-14(2)19-11-8-17(20-13-26-16(4)22-20)12-21(19)27(24,25)23(5)18-9-6-15(3)7-10-18/h6-14H,1-5H3
InChIKeyUWIGKGDOFNMOEL-UHFFFAOYSA-N
XLogP5.38
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53036276
N-(2-chloro-4,6-dimethoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53117901
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole
CID 53117882
N-benzyl-2-methoxy-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036299
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20935543
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonic acid
CID 118293667
2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 15560939

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide (CID 53036288) is N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is UWIGKGDOFNMOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S2/c1-14(2)19-11-8-17(20-13-26-16(4)22-20)12-21(19)27(24,25)23(5)18-9-6-15(3)7-10-18/h6-14H,1-5H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide?
N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 400.57 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 53036288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).