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

C14H16N2O3S2 — CID 47074146

IUPACN-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-10-15-11(9-20-10)8-14(17)16(2)12-4-6-13(7-5-12)21(3,18)19/h4-7,9H,8H2,1-3H3
InChIKeyLLKBGSGTGWKMMW-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.06
Rot. Bonds4

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

N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 47074146) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID47074146
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-10-15-11(9-20-10)8-14(17)16(2)12-4-6-13(7-5-12)21(3,18)19/h4-7,9H,8H2,1-3H3
InChIKeyLLKBGSGTGWKMMW-UHFFFAOYSA-N
XLogP2.06
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(4-methylsulfonylphenyl)-2-sulfanylacetamide
CID 115167078
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 55008249
methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 43423110
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid
CID 60825782
1,2-dimethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109422167
2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55732627
(2-methyl-1,3-thiazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 7725960
1,2-dimethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422112
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
CID 110450447

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 47074146) is N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N(C)c2ccc(S(C)(=O)=O)cc2)cs1.
What is the InChIKey of N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LLKBGSGTGWKMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-10-15-11(9-20-10)8-14(17)16(2)12-4-6-13(7-5-12)21(3,18)19/h4-7,9H,8H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47074146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).