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

C26H24N2OS — CID 25167492

IUPAC3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)c3ccccc3)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C26H24N2OS/c1-18-9-11-19(12-10-18)20-15-21(17-22(16-20)25-27-13-14-30-25)24(29)28-26(2,3)23-7-5-4-6-8-23/h4-17H,1-3H3,(H,28,29)
InChIKeyNCOOLZQQHHZGQS-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.45
Rot. Bonds5

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

3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 25167492) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide
PubChem CID25167492
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC Name3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)c3ccccc3)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C26H24N2OS/c1-18-9-11-19(12-10-18)20-15-21(17-22(16-20)25-27-13-14-30-25)24(29)28-26(2,3)23-7-5-4-6-8-23/h4-17H,1-3H3,(H,28,29)
InChIKeyNCOOLZQQHHZGQS-UHFFFAOYSA-N
XLogP6.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide (CID 25167492) is 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)(C)c3ccccc3)cc(-c3nccs3)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NCOOLZQQHHZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c1-18-9-11-19(12-10-18)20-15-21(17-22(16-20)25-27-13-14-30-25)24(29)28-26(2,3)23-7-5-4-6-8-23/h4-17H,1-3H3,(H,28,29).
What are the key properties of 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide?
3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 412.56 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-phenylpropan-2-yl)-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 25167492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).