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

C19H18N2O5S2 — CID 16813579

IUPAC2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C19H18N2O5S2/c1-25-13-8-9-15(17(10-13)26-2)16-11-27-19(20-16)21-18(22)12-28(23,24)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyHPKPKMYFBZOKPY-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.24
Rot. Bonds7

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

2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16813579) has the molecular formula C19H18N2O5S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16813579
Molecular FormulaC19H18N2O5S2
Molecular Weight418.50 g/mol
Exact Mass418.07
IUPAC Name2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C19H18N2O5S2/c1-25-13-8-9-15(17(10-13)26-2)16-11-27-19(20-16)21-18(22)12-28(23,24)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyHPKPKMYFBZOKPY-UHFFFAOYSA-N
XLogP3.24
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 16813579) is 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HPKPKMYFBZOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S2/c1-25-13-8-9-15(17(10-13)26-2)16-11-27-19(20-16)21-18(22)12-28(23,24)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16813579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).