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

C22H24N2O4S — CID 50790906

IUPACN-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(CC(=O)Nc2ccccc2C)C1=O
InChIInChI=1S/C22H24N2O4S/c1-14(2)17-9-11-18(12-10-17)21-16(4)22(26)24(29(21,27)28)13-20(25)23-19-8-6-5-7-15(19)3/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKeyBTMQUQXBTODYOM-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.66
Rot. Bonds5

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

N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide (PubChem CID 50790906) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide
PubChem CID50790906
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(CC(=O)Nc2ccccc2C)C1=O
InChIInChI=1S/C22H24N2O4S/c1-14(2)17-9-11-18(12-10-17)21-16(4)22(26)24(29(21,27)28)13-20(25)23-19-8-6-5-7-15(19)3/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKeyBTMQUQXBTODYOM-UHFFFAOYSA-N
XLogP3.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide
CID 50790879
N-(2-chlorophenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetamide
CID 50790878
2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 50790898
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-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
N-[4-(diethylamino)-2-methylphenyl]-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000124
N-(2,3-dimethylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 959550
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 78509718
N-[2-(4-propan-2-ylphenyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 9290760
N-(2-methylphenyl)-2-[[4-methyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17303119
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2,4-dimethoxyphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000195

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide (CID 50790906) is N-(2-methylphenyl)-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-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide is CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(CC(=O)Nc2ccccc2C)C1=O.
What is the InChIKey of N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide?
The InChIKey is BTMQUQXBTODYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-14(2)17-9-11-18(12-10-17)21-16(4)22(26)24(29(21,27)28)13-20(25)23-19-8-6-5-7-15(19)3/h5-12,14H,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide?
N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-methyl-1,1,3-trioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-2-yl]acetamide is sourced from PubChem (CID 50790906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).