(2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide

C28H35N3O4S — CID 91463263

About (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide

(2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide (PubChem CID 91463263) has the molecular formula C28H35N3O4S and a molecular weight of 509.67 g/mol. Its IUPAC name is (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide.

Molecular Properties

• Compound Name: (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide
• PubChem CID: 91463263
• Molecular Formula: C28H35N3O4S
• Molecular Weight: 509.67 g/mol
• Exact Mass: 509.23
• IUPAC Name: (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide
• SMILES: CCCC(NC(=O)[C@H](O)C(CC)CC)C(=O)Nc1ncc(-c2ccccc2COc2ccccc2)s1
• InChI: InChI=1S/C28H35N3O4S/c1-4-12-23(30-27(34)25(32)19(5-2)6-3)26(33)31-28-29-17-24(36-28)22-16-11-10-13-20(22)18-35-21-14-8-7-9-15-21/h7-11,13-17,19,23,25,32H,4-6,12,18H2,1-3H3,(H,30,34)(H,29,31,33)/t23?,25-/m1/s1
• InChIKey: ZOJJSXIGXAZFDQ-XSWBTSGESA-N
• XLogP: 5.41
• TPSA: 100.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.67
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide?

The IUPAC name of (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide (CID 91463263) is (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide.

What is the SMILES notation for (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide?

The canonical SMILES for (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide is CCCC(NC(=O)[C@H](O)C(CC)CC)C(=O)Nc1ncc(-c2ccccc2COc2ccccc2)s1.

What is the InChIKey of (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide?

The InChIKey is ZOJJSXIGXAZFDQ-XSWBTSGESA-N. The full InChI is InChI=1S/C28H35N3O4S/c1-4-12-23(30-27(34)25(32)19(5-2)6-3)26(33)31-28-29-17-24(36-28)22-16-11-10-13-20(22)18-35-21-14-8-7-9-15-21/h7-11,13-17,19,23,25,32H,4-6,12,18H2,1-3H3,(H,30,34)(H,29,31,33)/t23?,25-/m1/s1.

What are the key properties of (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide?

(2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide has a molecular weight of 509.67 g/mol, XLogP of 5.41, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide is sourced from PubChem (CID 91463263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).