2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide

C27H28N4O4S2 — CID 1432617

About 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide

2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide (PubChem CID 1432617) has the molecular formula C27H28N4O4S2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide.

Molecular Properties

• Compound Name: 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide
• PubChem CID: 1432617
• Molecular Formula: C27H28N4O4S2
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.16
• IUPAC Name: 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide
• SMILES: CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1
• InChI: InChI=1S/C27H28N4O4S2/c1-27(2,3)31(18-20-10-6-4-7-11-20)24(32)19-36-26-29-28-25(35-26)21-14-16-22(17-15-21)30-37(33,34)23-12-8-5-9-13-23/h4-17,30H,18-19H2,1-3H3
• InChIKey: SGWWDEZGMBSKQG-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.68
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide?

The IUPAC name of 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide (CID 1432617) is 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide.

What is the SMILES notation for 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide?

The canonical SMILES for 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide is CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1.

What is the InChIKey of 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide?

The InChIKey is SGWWDEZGMBSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S2/c1-27(2,3)31(18-20-10-6-4-7-11-20)24(32)19-36-26-29-28-25(35-26)21-14-16-22(17-15-21)30-37(33,34)23-12-8-5-9-13-23/h4-17,30H,18-19H2,1-3H3.

What are the key properties of 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide?

2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide has a molecular weight of 536.68 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide is sourced from PubChem (CID 1432617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).