N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol

C27H30N4O4S2 — CID 23723092

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol (PubChem CID 23723092) has the molecular formula C27H30N4O4S2 and a molecular weight of 538.70 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol.

Molecular Properties

• Compound Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol
• PubChem CID: 23723092
• Molecular Formula: C27H30N4O4S2
• Molecular Weight: 538.70 g/mol
• Exact Mass: 538.17
• IUPAC Name: N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol
• SMILES: CC(C)O.CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)s1
• InChI: InChI=1S/C24H22N4O3S2.C3H8O/c1-2-21-26-27-24(32-21)28-33(30,31)20-15-13-19(14-16-20)25-23(29)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-3(2)4/h3-16,22H,2H2,1H3,(H,25,29)(H,27,28);3-4H,1-2H3
• InChIKey: LUCROAIFAFFZRQ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 121.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.70
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol?

The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol (CID 23723092) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol.

What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol?

The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol is CC(C)O.CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)s1.

What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol?

The InChIKey is LUCROAIFAFFZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2.C3H8O/c1-2-21-26-27-24(32-21)28-33(30,31)20-15-13-19(14-16-20)25-23(29)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-3(2)4/h3-16,22H,2H2,1H3,(H,25,29)(H,27,28);3-4H,1-2H3.

What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol?

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol has a molecular weight of 538.70 g/mol, XLogP of 5.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2-diphenylacetamide;propan-2-ol is sourced from PubChem (CID 23723092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).