2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C29H27N3OS — CID 59252873

IUPAC2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(-c2cc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nccs4)ccc3[nH]2)cc1
InChIInChI=1S/C29H27N3OS/c1-19-9-11-20(12-10-19)25-18-23-17-22(13-14-24(23)31-25)26(21-7-5-4-6-8-21)29(2,3)27(33)32-28-30-15-16-34-28/h4-18,26,31H,1-3H3,(H,30,32,33)
InChIKeyJTXLWBAREUICRX-UHFFFAOYSA-N
MW465.62 g/mol
LogP7.40
Rot. Bonds6

About 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59252873) has the molecular formula C29H27N3OS and a molecular weight of 465.62 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59252873
Molecular FormulaC29H27N3OS
Molecular Weight465.62 g/mol
Exact Mass465.19
IUPAC Name2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(-c2cc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nccs4)ccc3[nH]2)cc1
InChIInChI=1S/C29H27N3OS/c1-19-9-11-20(12-10-19)25-18-23-17-22(13-14-24(23)31-25)26(21-7-5-4-6-8-21)29(2,3)27(33)32-28-30-15-16-34-28/h4-18,26,31H,1-3H3,(H,30,32,33)
InChIKeyJTXLWBAREUICRX-UHFFFAOYSA-N
XLogP7.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 59252873) is 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(-c2cc3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nccs4)ccc3[nH]2)cc1.
What is the InChIKey of 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is JTXLWBAREUICRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3OS/c1-19-9-11-20(12-10-19)25-18-23-17-22(13-14-24(23)31-25)26(21-7-5-4-6-8-21)29(2,3)27(33)32-28-30-15-16-34-28/h4-18,26,31H,1-3H3,(H,30,32,33).
What are the key properties of 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 465.62 g/mol, XLogP of 7.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(4-methylphenyl)-1H-indol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59252873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).