N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

C27H28N4O3S — CID 55602934

About N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 55602934) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
• PubChem CID: 55602934
• Molecular Formula: C27H28N4O3S
• Molecular Weight: 488.61 g/mol
• Exact Mass: 488.19
• IUPAC Name: N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
• SMILES: Cc1ccc(OCc2nnc(SCC(=O)N(c3ccc(Nc4ccccc4)cc3)C(C)C)o2)cc1
• InChI: InChI=1S/C27H28N4O3S/c1-19(2)31(23-13-11-22(12-14-23)28-21-7-5-4-6-8-21)26(32)18-35-27-30-29-25(34-27)17-33-24-15-9-20(3)10-16-24/h4-16,19,28H,17-18H2,1-3H3
• InChIKey: YPEULHQOERWOFD-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.61
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?

The IUPAC name of N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (CID 55602934) is N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.

What is the SMILES notation for N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?

The canonical SMILES for N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is Cc1ccc(OCc2nnc(SCC(=O)N(c3ccc(Nc4ccccc4)cc3)C(C)C)o2)cc1.

What is the InChIKey of N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?

The InChIKey is YPEULHQOERWOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-19(2)31(23-13-11-22(12-14-23)28-21-7-5-4-6-8-21)26(32)18-35-27-30-29-25(34-27)17-33-24-15-9-20(3)10-16-24/h4-16,19,28H,17-18H2,1-3H3.

What are the key properties of N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?

N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 488.61 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-anilinophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55602934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).