N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide

C23H26N2O4S — CID 50790879

IUPACN-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(C(C)C)cc3)S2(=O)=O)cc1
InChIInChI=1S/C23H26N2O4S/c1-5-17-6-12-20(13-7-17)24-21(26)14-25-23(27)16(4)22(30(25,28)29)19-10-8-18(9-11-19)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,24,26)
InChIKeyBIVMACCDHDBSRL-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.91
Rot. Bonds6

About N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide

N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide (PubChem CID 50790879) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide
PubChem CID50790879
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(C(C)C)cc3)S2(=O)=O)cc1
InChIInChI=1S/C23H26N2O4S/c1-5-17-6-12-20(13-7-17)24-21(26)14-25-23(27)16(4)22(30(25,28)29)19-10-8-18(9-11-19)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,24,26)
InChIKeyBIVMACCDHDBSRL-UHFFFAOYSA-N
XLogP3.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide
CID 50790906
2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 50790898
N-cyclohexyl-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000220
N-(2,4-dimethoxyphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000195
N-butan-2-yl-2-[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 50790851
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
2-[(4R)-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2525762
N-(4-bromophenyl)-2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000257
4-methyl-1,1-dioxo-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one
CID 46338115
N-[(4-butoxyphenyl)methyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000141
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 40701171

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide (CID 50790879) is N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide is CCc1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(C(C)C)cc3)S2(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide?
The InChIKey is BIVMACCDHDBSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-5-17-6-12-20(13-7-17)24-21(26)14-25-23(27)16(4)22(30(25,28)29)19-10-8-18(9-11-19)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,24,26).
What are the key properties of N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide?
N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide is sourced from PubChem (CID 50790879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).