2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C15H18N2O3S2 — CID 110439791

IUPAC2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)Cc2ccccc2S(C)(=O)=O)n1
InChIInChI=1S/C15H18N2O3S2/c1-10(2)12-9-21-15(16-12)17-14(18)8-11-6-4-5-7-13(11)22(3,19)20/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyVQWJDUWQANIYQX-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 110439791) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID110439791
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)Cc2ccccc2S(C)(=O)=O)n1
InChIInChI=1S/C15H18N2O3S2/c1-10(2)12-9-21-15(16-12)17-14(18)8-11-6-4-5-7-13(11)22(3,19)20/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyVQWJDUWQANIYQX-UHFFFAOYSA-N
XLogP2.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64556077
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
CID 107025328
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 37019362
N-(4-propan-2-yl-1,3-thiazol-2-yl)octanamide
CID 55555526
2-(2-methylindol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 43036916
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 110439791) is 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1csc(NC(=O)Cc2ccccc2S(C)(=O)=O)n1.
What is the InChIKey of 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VQWJDUWQANIYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10(2)12-9-21-15(16-12)17-14(18)8-11-6-4-5-7-13(11)22(3,19)20/h4-7,9-10H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110439791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).