2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide

C19H26N2O5S — CID 53000247

IUPAC2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide
SMILESCCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCCC(C)C)C1=O
InChIInChI=1S/C19H26N2O5S/c1-5-16-18(14-6-8-15(26-4)9-7-14)27(24,25)21(19(16)23)12-17(22)20-11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,20,22)
InChIKeyXZPYZUDRGKLVSJ-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.15
Rot. Bonds8

About 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide

2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide (PubChem CID 53000247) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide
PubChem CID53000247
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide
SMILESCCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCCC(C)C)C1=O
InChIInChI=1S/C19H26N2O5S/c1-5-16-18(14-6-8-15(26-4)9-7-14)27(24,25)21(19(16)23)12-17(22)20-11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,20,22)
InChIKeyXZPYZUDRGKLVSJ-UHFFFAOYSA-N
XLogP2.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 93072293
N-[(4-butoxyphenyl)methyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000141
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
CID 109005309
2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(3-methylbutyl)acetamide
CID 50927013
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2701885
2-[1-(4-methoxyphenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-(3-methylbutyl)acetamide
CID 70717122
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
CID 42764937
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8804048

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide (CID 53000247) is 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide is CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NCCC(C)C)C1=O.
What is the InChIKey of 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is XZPYZUDRGKLVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-5-16-18(14-6-8-15(26-4)9-7-14)27(24,25)21(19(16)23)12-17(22)20-11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,20,22).
What are the key properties of 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide?
2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 394.49 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 53000247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).