2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C17H14N2O3S2 — CID 2224305

IUPAC2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14N2O3S2/c20-16(12-24(21,22)14-9-5-2-6-10-14)19-17-18-15(11-23-17)13-7-3-1-4-8-13/h1-11H,12H2,(H,18,19,20)
InChIKeyKDJZCSYRIMAKMR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.22
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2224305) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2224305
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Name2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14N2O3S2/c20-16(12-24(21,22)14-9-5-2-6-10-14)19-17-18-15(11-23-17)13-7-3-1-4-8-13/h1-11H,12H2,(H,18,19,20)
InChIKeyKDJZCSYRIMAKMR-UHFFFAOYSA-N
XLogP3.22
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2224305) is 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KDJZCSYRIMAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c20-16(12-24(21,22)14-9-5-2-6-10-14)19-17-18-15(11-23-17)13-7-3-1-4-8-13/h1-11H,12H2,(H,18,19,20).
What are the key properties of 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2224305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).