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

C22H24N2O7S — CID 53000243

IUPACN-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
SMILESCCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)Nc2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C22H24N2O7S/c1-5-17-21(14-6-8-15(29-2)9-7-14)32(27,28)24(22(17)26)13-20(25)23-18-12-16(30-3)10-11-19(18)31-4/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyDVZCYMYLCGUILE-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.64
Rot. Bonds8

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

N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide (PubChem CID 53000243) has the molecular formula C22H24N2O7S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
PubChem CID53000243
Molecular FormulaC22H24N2O7S
Molecular Weight460.51 g/mol
Exact Mass460.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
SMILESCCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)Nc2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C22H24N2O7S/c1-5-17-21(14-6-8-15(29-2)9-7-14)32(27,28)24(22(17)26)13-20(25)23-18-12-16(30-3)10-11-19(18)31-4/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyDVZCYMYLCGUILE-UHFFFAOYSA-N
XLogP2.64
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000257
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CID 53000195
2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide
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CID 53000124
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide (CID 53000243) is N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide is CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)Nc2cc(OC)ccc2OC)C1=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
The InChIKey is DVZCYMYLCGUILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7S/c1-5-17-21(14-6-8-15(29-2)9-7-14)32(27,28)24(22(17)26)13-20(25)23-18-12-16(30-3)10-11-19(18)31-4/h6-12H,5,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide has a molecular weight of 460.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide is sourced from PubChem (CID 53000243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).