(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide

About (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide

(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide (PubChem CID 90903913) has the molecular formula C29H32N4O7S and a molecular weight of 580.66 g/mol. Its IUPAC name is (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name	(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
PubChem CID	90903913
Molecular Formula	C29H32N4O7S
Molecular Weight	580.66 g/mol
Exact Mass	580.20
IUPAC Name	(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
SMILES	CCC(=O)c1csc(NC(=O)[C@H]([C@@H](C)OCc2ccccc2)n2c(O)c(-c3ccc(OCCOC)cc3)[nH]c2=O)n1
InChI	InChI=1S/C29H32N4O7S/c1-4-23(34)22-17-41-28(30-22)32-26(35)25(18(2)40-16-19-8-6-5-7-9-19)33-27(36)24(31-29(33)37)20-10-12-21(13-11-20)39-15-14-38-3/h5-13,17-18,25,36H,4,14-16H2,1-3H3,(H,31,37)(H,30,32,35)/t18-,25+/m1/s1
InChIKey	AAQGMBWWTMAJED-CJAUYULYSA-N
XLogP	4.41
TPSA	144.77 Å²
H-Bond Donors	3
H-Bond Acceptors	10
Rotatable Bonds	14
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.66
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide?

The IUPAC name of (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide (CID 90903913) is (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide.

What is the SMILES notation for (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide?

The canonical SMILES for (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide is CCC(=O)c1csc(NC(=O)[C@H]([C@@H](C)OCc2ccccc2)n2c(O)c(-c3ccc(OCCOC)cc3)[nH]c2=O)n1.

What is the InChIKey of (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide?

The InChIKey is AAQGMBWWTMAJED-CJAUYULYSA-N. The full InChI is InChI=1S/C29H32N4O7S/c1-4-23(34)22-17-41-28(30-22)32-26(35)25(18(2)40-16-19-8-6-5-7-9-19)33-27(36)24(31-29(33)37)20-10-12-21(13-11-20)39-15-14-38-3/h5-13,17-18,25,36H,4,14-16H2,1-3H3,(H,31,37)(H,30,32,35)/t18-,25+/m1/s1.

What are the key properties of (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide?

(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 580.66 g/mol, XLogP of 4.41, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylmethoxy-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 90903913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).