4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide

C18H18N2O4S2 — CID 60615860

IUPAC4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(Cc2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1OC
InChIInChI=1S/C18H18N2O4S2/c1-23-16-8-3-12(9-17(16)24-2)10-18-20-15(11-25-18)13-4-6-14(7-5-13)26(19,21)22/h3-9,11H,10H2,1-2H3,(H2,19,21,22)
InChIKeyXVNYQLRMPHXJFH-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.07
Rot. Bonds6

About 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide

4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 60615860) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID60615860
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(Cc2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1OC
InChIInChI=1S/C18H18N2O4S2/c1-23-16-8-3-12(9-17(16)24-2)10-18-20-15(11-25-18)13-4-6-14(7-5-13)26(19,21)22/h3-9,11H,10H2,1-2H3,(H2,19,21,22)
InChIKeyXVNYQLRMPHXJFH-UHFFFAOYSA-N
XLogP3.07
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide
CID 31264374
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 31264408
2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole
CID 84567465
3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 10450423
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide
CID 20658521
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263481
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 53011342
CID 118692692
CID 118692692
4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567435

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide (CID 60615860) is 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide is COc1ccc(Cc2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1OC.
What is the InChIKey of 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is XVNYQLRMPHXJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-23-16-8-3-12(9-17(16)24-2)10-18-20-15(11-25-18)13-4-6-14(7-5-13)26(19,21)22/h3-9,11H,10H2,1-2H3,(H2,19,21,22).
What are the key properties of 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide?
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 390.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 60615860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).