N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

C25H22N4O2S2 — CID 23097229

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (PubChem CID 23097229) has the molecular formula C25H22N4O2S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
• PubChem CID: 23097229
• Molecular Formula: C25H22N4O2S2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.12
• IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
• SMILES: Cc1nnc(NC(=O)C(Sc2ccc(NC(=O)Cc3ccccc3)cc2)c2ccccc2)s1
• InChI: InChI=1S/C25H22N4O2S2/c1-17-28-29-25(32-17)27-24(31)23(19-10-6-3-7-11-19)33-21-14-12-20(13-15-21)26-22(30)16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3,(H,26,30)(H,27,29,31)
• InChIKey: LXUVTWTYMYFRNG-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?

The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide (CID 23097229) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide.

What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?

The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is Cc1nnc(NC(=O)C(Sc2ccc(NC(=O)Cc3ccccc3)cc2)c2ccccc2)s1.

What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?

The InChIKey is LXUVTWTYMYFRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S2/c1-17-28-29-25(32-17)27-24(31)23(19-10-6-3-7-11-19)33-21-14-12-20(13-15-21)26-22(30)16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3,(H,26,30)(H,27,29,31).

What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide?

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide has a molecular weight of 474.61 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 23097229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).