4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C14H18N2O3S2 — CID 110717621

IUPAC4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2cncs2)c(C)c1
InChIInChI=1S/C14H18N2O3S2/c1-10-6-12(19-3)7-11(2)14(10)21(17,18)16-5-4-13-8-15-9-20-13/h6-9,16H,4-5H2,1-3H3
InChIKeyOSBOTWMLRPVZAV-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.29
Rot. Bonds6

About 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110717621) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110717621
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2cncs2)c(C)c1
InChIInChI=1S/C14H18N2O3S2/c1-10-6-12(19-3)7-11(2)14(10)21(17,18)16-5-4-13-8-15-9-20-13/h6-9,16H,4-5H2,1-3H3
InChIKeyOSBOTWMLRPVZAV-UHFFFAOYSA-N
XLogP2.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717603
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110292165
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 94143746
4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789471
3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717587
4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739054
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]pentanoic acid
CID 62034487
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
4-methoxy-2,6-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47173285
N-(2-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 65112859
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
N-(5-hydroxy-4-methylpentyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 103858918

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 110717621) is 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCc2cncs2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is OSBOTWMLRPVZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-6-12(19-3)7-11(2)14(10)21(17,18)16-5-4-13-8-15-9-20-13/h6-9,16H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110717621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).