N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

C22H24N2OS — CID 25167622

IUPACN-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1
InChIInChI=1S/C22H24N2OS/c1-5-22(3,4)24-20(25)18-12-17(16-8-6-15(2)7-9-16)13-19(14-18)21-23-10-11-26-21/h6-14H,5H2,1-4H3,(H,24,25)
InChIKeyFFXKWMKMHAESDX-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.70
Rot. Bonds5

About N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 25167622) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
PubChem CID25167622
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1
InChIInChI=1S/C22H24N2OS/c1-5-22(3,4)24-20(25)18-12-17(16-8-6-15(2)7-9-16)13-19(14-18)21-23-10-11-26-21/h6-14H,5H2,1-4H3,(H,24,25)
InChIKeyFFXKWMKMHAESDX-UHFFFAOYSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (CID 25167622) is N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is CCC(C)(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is FFXKWMKMHAESDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-5-22(3,4)24-20(25)18-12-17(16-8-6-15(2)7-9-16)13-19(14-18)21-23-10-11-26-21/h6-14H,5H2,1-4H3,(H,24,25).
What are the key properties of N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 364.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 25167622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).