(2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C25H30N2O2S — CID 35342116

About (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

(2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 35342116) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

• Compound Name: (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
• PubChem CID: 35342116
• Molecular Formula: C25H30N2O2S
• Molecular Weight: 422.59 g/mol
• Exact Mass: 422.20
• IUPAC Name: (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
• SMILES: Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1
• InChI: InChI=1S/C25H30N2O2S/c1-16(2)22-11-8-18(4)14-23(22)29-19(5)24(28)26-13-12-21-15-30-25(27-21)20-9-6-17(3)7-10-20/h6-11,14-16,19H,12-13H2,1-5H3,(H,26,28)/t19-/m0/s1
• InChIKey: PBBHXIYNJSRBGD-IBGZPJMESA-N
• XLogP: 5.68
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.59
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The IUPAC name of (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 35342116) is (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

What is the SMILES notation for (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The canonical SMILES for (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1.

What is the InChIKey of (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The InChIKey is PBBHXIYNJSRBGD-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-16(2)22-11-8-18(4)14-23(22)29-19(5)24(28)26-13-12-21-15-30-25(27-21)20-9-6-17(3)7-10-20/h6-11,14-16,19H,12-13H2,1-5H3,(H,26,28)/t19-/m0/s1.

What are the key properties of (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

(2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 422.59 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 35342116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).