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

C18H18N2O3S2 — CID 8841457

IUPAC2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C18H18N2O3S2/c1-12-4-9-17(23-3)18(10-12)25(21,22)20-15-7-5-14(6-8-15)16-11-24-13(2)19-16/h4-11,20H,1-3H3
InChIKeyTWJQOMKUYOGQSS-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.24
Rot. Bonds5

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

2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 8841457) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID8841457
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C18H18N2O3S2/c1-12-4-9-17(23-3)18(10-12)25(21,22)20-15-7-5-14(6-8-15)16-11-24-13(2)19-16/h4-11,20H,1-3H3
InChIKeyTWJQOMKUYOGQSS-UHFFFAOYSA-N
XLogP4.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 53011342
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782677
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 108784195
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 8841457) is 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is TWJQOMKUYOGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-12-4-9-17(23-3)18(10-12)25(21,22)20-15-7-5-14(6-8-15)16-11-24-13(2)19-16/h4-11,20H,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 374.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8841457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).