(2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

C29H31N5O6S — CID 143182079

About (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

(2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (PubChem CID 143182079) has the molecular formula C29H31N5O6S and a molecular weight of 577.66 g/mol. Its IUPAC name is (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

Molecular Properties

• Compound Name: (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• PubChem CID: 143182079
• Molecular Formula: C29H31N5O6S
• Molecular Weight: 577.66 g/mol
• Exact Mass: 577.20
• IUPAC Name: (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• SMILES: CC(=O)c1csc(NC(=O)[C@H]([C@@H](C)c2ccccc2)N2C(=O)[C@@H](c3ccc(OCC(=O)N(C)C)cc3)N(C)C2=O)n1
• InChI: InChI=1S/C29H31N5O6S/c1-17(19-9-7-6-8-10-19)24(26(37)31-28-30-22(16-41-28)18(2)35)34-27(38)25(33(5)29(34)39)20-11-13-21(14-12-20)40-15-23(36)32(3)4/h6-14,16-17,24-25H,15H2,1-5H3,(H,30,31,37)/t17-,24-,25+/m0/s1
• InChIKey: POXZMRXOYHIOIE-WGXRPPGPSA-N
• XLogP: 3.56
• TPSA: 129.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.66
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The IUPAC name of (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (CID 143182079) is (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

What is the SMILES notation for (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The canonical SMILES for (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is CC(=O)c1csc(NC(=O)[C@H]([C@@H](C)c2ccccc2)N2C(=O)[C@@H](c3ccc(OCC(=O)N(C)C)cc3)N(C)C2=O)n1.

What is the InChIKey of (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The InChIKey is POXZMRXOYHIOIE-WGXRPPGPSA-N. The full InChI is InChI=1S/C29H31N5O6S/c1-17(19-9-7-6-8-10-19)24(26(37)31-28-30-22(16-41-28)18(2)35)34-27(38)25(33(5)29(34)39)20-11-13-21(14-12-20)40-15-23(36)32(3)4/h6-14,16-17,24-25H,15H2,1-5H3,(H,30,31,37)/t17-,24-,25+/m0/s1.

What are the key properties of (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

(2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide has a molecular weight of 577.66 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methyl-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is sourced from PubChem (CID 143182079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).