2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C20H20N2O4S2 — CID 16824336

IUPAC2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2C)cc1
InChIInChI=1S/C20H20N2O4S2/c1-14-19(16-8-10-17(26-2)11-9-16)22-20(27-14)21-18(23)13-28(24,25)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,22,23)
InChIKeyWGNRMHULIKISKN-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.68
Rot. Bonds7

About 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 16824336) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID16824336
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2C)cc1
InChIInChI=1S/C20H20N2O4S2/c1-14-19(16-8-10-17(26-2)11-9-16)22-20(27-14)21-18(23)13-28(24,25)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,22,23)
InChIKeyWGNRMHULIKISKN-UHFFFAOYSA-N
XLogP3.68
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450
2-(4-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 2640794
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
3-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 112763459
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-(2-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4855744
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 9094379
N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134028765

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 16824336) is 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2C)cc1.
What is the InChIKey of 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is WGNRMHULIKISKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-14-19(16-8-10-17(26-2)11-9-16)22-20(27-14)21-18(23)13-28(24,25)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 416.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16824336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).