2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide

C19H20N2O3S2 — CID 53036322

IUPAC2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C19H20N2O3S2/c1-14-21-17(13-25-14)16-8-9-18(24-2)19(12-16)26(22,23)20-11-10-15-6-4-3-5-7-15/h3-9,12-13,20H,10-11H2,1-2H3
InChIKeyVOMLLMWHWRETNH-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.65
Rot. Bonds7

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

2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 53036322) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID53036322
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C19H20N2O3S2/c1-14-21-17(13-25-14)16-8-9-18(24-2)19(12-16)26(22,23)20-11-10-15-6-4-3-5-7-15/h3-9,12-13,20H,10-11H2,1-2H3
InChIKeyVOMLLMWHWRETNH-UHFFFAOYSA-N
XLogP3.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974200
N-benzyl-2-methoxy-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036299
N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117927
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 53011342
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117943
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide (CID 53036322) is 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is VOMLLMWHWRETNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-14-21-17(13-25-14)16-8-9-18(24-2)19(12-16)26(22,23)20-11-10-15-6-4-3-5-7-15/h3-9,12-13,20H,10-11H2,1-2H3.
What are the key properties of 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide?
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 53036322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).