2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C18H24N2O3S2 — CID 86989584

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCCc1nc(CS(=O)(=O)CC(=O)Nc2c(C)cccc2C(C)C)cs1
InChIInChI=1S/C18H24N2O3S2/c1-5-17-19-14(9-24-17)10-25(22,23)11-16(21)20-18-13(4)7-6-8-15(18)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,20,21)
InChIKeyHTYGAGBRCZFVLR-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.69
Rot. Bonds7

About 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 86989584) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID86989584
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCCc1nc(CS(=O)(=O)CC(=O)Nc2c(C)cccc2C(C)C)cs1
InChIInChI=1S/C18H24N2O3S2/c1-5-17-19-14(9-24-17)10-25(22,23)11-16(21)20-18-13(4)7-6-8-15(18)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,20,21)
InChIKeyHTYGAGBRCZFVLR-UHFFFAOYSA-N
XLogP3.69
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
CID 86989609
2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153877
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 62796221
2-(2-cyanoethylsulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 96694733
2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 78761169
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16561751
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926194
2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9153801
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16560695

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 86989584) is 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CCc1nc(CS(=O)(=O)CC(=O)Nc2c(C)cccc2C(C)C)cs1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is HTYGAGBRCZFVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-5-17-19-14(9-24-17)10-25(22,23)11-16(21)20-18-13(4)7-6-8-15(18)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,20,21).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 380.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 86989584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).