tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate

C19H26N4O6S — CID 51553863

About tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate (PubChem CID 51553863) has the molecular formula C19H26N4O6S and a molecular weight of 438.51 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
• PubChem CID: 51553863
• Molecular Formula: C19H26N4O6S
• Molecular Weight: 438.51 g/mol
• Exact Mass: 438.16
• IUPAC Name: tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
• SMILES: Cc1ccc(NC(=O)CS(=O)(=O)c2nnc([C@@H](C)NC(=O)OC(C)(C)C)o2)c(C)c1
• InChI: InChI=1S/C19H26N4O6S/c1-11-7-8-14(12(2)9-11)21-15(24)10-30(26,27)18-23-22-16(28-18)13(3)20-17(25)29-19(4,5)6/h7-9,13H,10H2,1-6H3,(H,20,25)(H,21,24)/t13-/m1/s1
• InChIKey: WCPUUUOIHDTVFW-CYBMUJFWSA-N
• XLogP: 2.68
• TPSA: 140.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.51
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CID 51553863) is tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate is Cc1ccc(NC(=O)CS(=O)(=O)c2nnc([C@@H](C)NC(=O)OC(C)(C)C)o2)c(C)c1.

What is the InChIKey of tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate?

The InChIKey is WCPUUUOIHDTVFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O6S/c1-11-7-8-14(12(2)9-11)21-15(24)10-30(26,27)18-23-22-16(28-18)13(3)20-17(25)29-19(4,5)6/h7-9,13H,10H2,1-6H3,(H,20,25)(H,21,24)/t13-/m1/s1.

What are the key properties of tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate?

tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate has a molecular weight of 438.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R)-1-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 51553863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).