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

C19H18N2O4S2 — CID 7254448

IUPAC2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2C)cc1
InChIInChI=1S/C19H18N2O4S2/c1-13-18(14-8-10-15(25-2)11-9-14)21-19(26-13)20-17(22)12-27(23,24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyWSUJFJIWVAFXPW-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.54
Rot. Bonds6

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

2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 7254448) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID7254448
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2C)cc1
InChIInChI=1S/C19H18N2O4S2/c1-13-18(14-8-10-15(25-2)11-9-14)21-19(26-13)20-17(22)12-27(23,24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyWSUJFJIWVAFXPW-UHFFFAOYSA-N
XLogP3.54
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 7254448) is 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2C)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is WSUJFJIWVAFXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-13-18(14-8-10-15(25-2)11-9-14)21-19(26-13)20-17(22)12-27(23,24)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7254448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).