(2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

C25H25N5O2S — CID 41319947

About (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

(2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 41319947) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
• PubChem CID: 41319947
• Molecular Formula: C25H25N5O2S
• Molecular Weight: 459.58 g/mol
• Exact Mass: 459.17
• IUPAC Name: (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
• SMILES: COc1ccc(C)cc1-n1nnnc1S[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1
• InChI: InChI=1S/C25H25N5O2S/c1-16-10-12-18(3)20(14-16)26-24(31)23(19-8-6-5-7-9-19)33-25-27-28-29-30(25)21-15-17(2)11-13-22(21)32-4/h5-15,23H,1-4H3,(H,26,31)/t23-/m1/s1
• InChIKey: CVQRUTBIFMVMAC-HSZRJFAPSA-N
• XLogP: 5.07
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.58
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?

The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 41319947) is (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.

What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?

The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is COc1ccc(C)cc1-n1nnnc1S[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1.

What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?

The InChIKey is CVQRUTBIFMVMAC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-16-10-12-18(3)20(14-16)26-24(31)23(19-8-6-5-7-9-19)33-25-27-28-29-30(25)21-15-17(2)11-13-22(21)32-4/h5-15,23H,1-4H3,(H,26,31)/t23-/m1/s1.

What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?

(2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 459.58 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 41319947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).