2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide

C21H23N3O5S2 — CID 55984591

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccccc3S(=O)(=O)N(C)C)cs2)cc1OC
InChIInChI=1S/C21H23N3O5S2/c1-24(2)31(26,27)19-8-6-5-7-16(19)23-20(25)12-15-13-30-21(22-15)14-9-10-17(28-3)18(11-14)29-4/h5-11,13H,12H2,1-4H3,(H,23,25)
InChIKeyBZKUAJMABLXQKH-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.26
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 55984591) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID55984591
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccccc3S(=O)(=O)N(C)C)cs2)cc1OC
InChIInChI=1S/C21H23N3O5S2/c1-24(2)31(26,27)19-8-6-5-7-16(19)23-20(25)12-15-13-30-21(22-15)14-9-10-17(28-3)18(11-14)29-4/h5-11,13H,12H2,1-4H3,(H,23,25)
InChIKeyBZKUAJMABLXQKH-UHFFFAOYSA-N
XLogP3.26
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7944782
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 25477825
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
CID 46442809
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 55328635
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 55450669
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585029
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 46674241
2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 71949707
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-nitrophenyl)acetamide
CID 51180014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide (CID 55984591) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3ccccc3S(=O)(=O)N(C)C)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is BZKUAJMABLXQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c1-24(2)31(26,27)19-8-6-5-7-16(19)23-20(25)12-15-13-30-21(22-15)14-9-10-17(28-3)18(11-14)29-4/h5-11,13H,12H2,1-4H3,(H,23,25).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 461.57 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 55984591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).