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

C23H26N2O5S — CID 93072293

IUPAC2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide
SMILESCCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O5S/c1-4-20-22(18-10-12-19(30-3)13-11-18)31(28,29)25(23(20)27)15-21(26)24-14-16(2)17-8-6-5-7-9-17/h5-13,16H,4,14-15H2,1-3H3,(H,24,26)/t16-/m0/s1
InChIKeyFGYRYJNEQHLTRE-INIZCTEOSA-N
MW442.54 g/mol
LogP2.91
Rot. Bonds8

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

2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 93072293) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID93072293
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide
SMILESCCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O5S/c1-4-20-22(18-10-12-19(30-3)13-11-18)31(28,29)25(23(20)27)15-21(26)24-14-16(2)17-8-6-5-7-9-17/h5-13,16H,4,14-15H2,1-3H3,(H,24,26)/t16-/m0/s1
InChIKeyFGYRYJNEQHLTRE-INIZCTEOSA-N
XLogP2.91
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.91
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-(3-methylbutyl)acetamide
CID 53000247
N-(4-bromophenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000257
N-[(2S)-2-phenylpropyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 8708927
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8597541
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9456944
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550911
N-[(4-butoxyphenyl)methyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000141
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
2-[1-(4-methoxyphenyl)propylamino]-N-(2-phenylpropyl)propanamide
CID 112798795

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-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide (CID 93072293) is 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide is CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)C1=O.
What is the InChIKey of 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is FGYRYJNEQHLTRE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-4-20-22(18-10-12-19(30-3)13-11-18)31(28,29)25(23(20)27)15-21(26)24-14-16(2)17-8-6-5-7-9-17/h5-13,16H,4,14-15H2,1-3H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide?
2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 442.54 g/mol, XLogP of 2.91, 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-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 93072293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).