N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide

C20H22N2O3S2 — CID 108782420

IUPACN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)cc3C)sc2C)cc1C
InChIInChI=1S/C20H22N2O3S2/c1-12-6-9-18(14(3)10-12)27(23,24)22-20-21-19(15(4)26-20)16-7-8-17(25-5)13(2)11-16/h6-11H,1-5H3,(H,21,22)
InChIKeyNPFLTPQHHNTMEE-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.85
Rot. Bonds5

About N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide

N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 108782420) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID108782420
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC NameN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)cc3C)sc2C)cc1C
InChIInChI=1S/C20H22N2O3S2/c1-12-6-9-18(14(3)10-12)27(23,24)22-20-21-19(15(4)26-20)16-7-8-17(25-5)13(2)11-16/h6-11H,1-5H3,(H,21,22)
InChIKeyNPFLTPQHHNTMEE-UHFFFAOYSA-N
XLogP4.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
CID 108782409
2,2,2-trichloro-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 108738227
2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 108761148
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 108810237
4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108775694
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 108738339
ethyl [4-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] carbonate
CID 108761038
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945117
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108738200
2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 19258297
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide (CID 108782420) is N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide is COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)cc3C)sc2C)cc1C.
What is the InChIKey of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is NPFLTPQHHNTMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-12-6-9-18(14(3)10-12)27(23,24)22-20-21-19(15(4)26-20)16-7-8-17(25-5)13(2)11-16/h6-11H,1-5H3,(H,21,22).
What are the key properties of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide?
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 402.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 108782420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).