(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide

C26H29N3O3S — CID 162659346

IUPAC(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)N[C@@H](C(=O)NCc1nccs1)c1ccc(OCC2CCC2)cc1)c1ccccc1
InChIInChI=1S/C26H29N3O3S/c1-18(20-8-3-2-4-9-20)25(30)29-24(26(31)28-16-23-27-14-15-33-23)21-10-12-22(13-11-21)32-17-19-6-5-7-19/h2-4,8-15,18-19,24H,5-7,16-17H2,1H3,(H,28,31)(H,29,30)/t18-,24+/m0/s1
InChIKeyWTLADBZSISBOLY-MHECFPHRSA-N
MW463.60 g/mol
LogP4.60
Rot. Bonds10

About (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide

(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide (PubChem CID 162659346) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide
PubChem CID162659346
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)N[C@@H](C(=O)NCc1nccs1)c1ccc(OCC2CCC2)cc1)c1ccccc1
InChIInChI=1S/C26H29N3O3S/c1-18(20-8-3-2-4-9-20)25(30)29-24(26(31)28-16-23-27-14-15-33-23)21-10-12-22(13-11-21)32-17-19-6-5-7-19/h2-4,8-15,18-19,24H,5-7,16-17H2,1H3,(H,28,31)(H,29,30)/t18-,24+/m0/s1
InChIKeyWTLADBZSISBOLY-MHECFPHRSA-N
XLogP4.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide (CID 162659346) is (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide is C[C@H](C(=O)N[C@@H](C(=O)NCc1nccs1)c1ccc(OCC2CCC2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide?
The InChIKey is WTLADBZSISBOLY-MHECFPHRSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-18(20-8-3-2-4-9-20)25(30)29-24(26(31)28-16-23-27-14-15-33-23)21-10-12-22(13-11-21)32-17-19-6-5-7-19/h2-4,8-15,18-19,24H,5-7,16-17H2,1H3,(H,28,31)(H,29,30)/t18-,24+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide?
(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide has a molecular weight of 463.60 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 162659346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).