(2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide

C25H25N3OS2 — CID 41436019

About (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide

(2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide (PubChem CID 41436019) has the molecular formula C25H25N3OS2 and a molecular weight of 447.63 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide
• PubChem CID: 41436019
• Molecular Formula: C25H25N3OS2
• Molecular Weight: 447.63 g/mol
• Exact Mass: 447.14
• IUPAC Name: (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide
• SMILES: Cc1ccc(C)c(NC(=O)[C@H](NCc2ccc(-c3csc(C)n3)s2)c2ccccc2)c1
• InChI: InChI=1S/C25H25N3OS2/c1-16-9-10-17(2)21(13-16)28-25(29)24(19-7-5-4-6-8-19)26-14-20-11-12-23(31-20)22-15-30-18(3)27-22/h4-13,15,24,26H,14H2,1-3H3,(H,28,29)/t24-/m1/s1
• InChIKey: IETJKYJAJNQXBS-XMMPIXPASA-N
• XLogP: 6.27
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.63
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide?

The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide (CID 41436019) is (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide.

What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide?

The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@H](NCc2ccc(-c3csc(C)n3)s2)c2ccccc2)c1.

What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide?

The InChIKey is IETJKYJAJNQXBS-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25N3OS2/c1-16-9-10-17(2)21(13-16)28-25(29)24(19-7-5-4-6-8-19)26-14-20-11-12-23(31-20)22-15-30-18(3)27-22/h4-13,15,24,26H,14H2,1-3H3,(H,28,29)/t24-/m1/s1.

What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide?

(2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide has a molecular weight of 447.63 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2,5-dimethylphenyl)-2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 41436019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).