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

C15H20N2O3S2 — CID 110718489

IUPAC4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2scnc2C)cc1C
InChIInChI=1S/C15H20N2O3S2/c1-10-8-15(11(2)7-13(10)20-4)22(18,19)17-6-5-14-12(3)16-9-21-14/h7-9,17H,5-6H2,1-4H3
InChIKeyYDWHPVQVHLNGSN-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.60
Rot. Bonds6

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

4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110718489) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110718489
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2scnc2C)cc1C
InChIInChI=1S/C15H20N2O3S2/c1-10-8-15(11(2)7-13(10)20-4)22(18,19)17-6-5-14-12(3)16-9-21-14/h7-9,17H,5-6H2,1-4H3
InChIKeyYDWHPVQVHLNGSN-UHFFFAOYSA-N
XLogP2.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718479
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718513
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320894
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 110718489) is 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCc2scnc2C)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is YDWHPVQVHLNGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-10-8-15(11(2)7-13(10)20-4)22(18,19)17-6-5-14-12(3)16-9-21-14/h7-9,17H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110718489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).