2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide

C12H12N2O3S2 — CID 3483549

IUPAC2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H12N2O3S2/c1-9-2-4-10(5-3-9)19(16,17)8-11(15)14-12-13-6-7-18-12/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyGNDOUBGPOITLAB-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.86
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide

2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3483549) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3483549
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H12N2O3S2/c1-9-2-4-10(5-3-9)19(16,17)8-11(15)14-12-13-6-7-18-12/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyGNDOUBGPOITLAB-UHFFFAOYSA-N
XLogP1.86
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
N-{[(2Z)-5-Bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-4-methylbenzenesulfonamide
CID 24751933
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
Mls000757107
CID 324088
2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2991996
3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7254594
Acetamide, 2-(4-chlorobenzylsulfanyl)-N-thiazol-2-yl-
CID 709144
N-(thiazol-2-yl)-1-tosylpyrrolidine-2-carboxamide
CID 3739028
3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-propionamide
CID 9799942
(E)-3-cycloheptyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10111868
(E)-3-cyclooctyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10159013

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide (CID 3483549) is 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GNDOUBGPOITLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-9-2-4-10(5-3-9)19(16,17)8-11(15)14-12-13-6-7-18-12/h2-7H,8H2,1H3,(H,13,14,15).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3483549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).