N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide

C22H31N5O7S2 — CID 23586829

About N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide

N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide (PubChem CID 23586829) has the molecular formula C22H31N5O7S2 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide
• PubChem CID: 23586829
• Molecular Formula: C22H31N5O7S2
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.17
• IUPAC Name: N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide
• SMILES: CCC(NC(=O)C(CS(=O)(=O)CC(C)C)NC(=O)N1CCOCC1)C(=O)c1noc(-c2ccsc2)n1
• InChI: InChI=1S/C22H31N5O7S2/c1-4-16(18(28)19-25-21(34-26-19)15-5-10-35-11-15)23-20(29)17(13-36(31,32)12-14(2)3)24-22(30)27-6-8-33-9-7-27/h5,10-11,14,16-17H,4,6-9,12-13H2,1-3H3,(H,23,29)(H,24,30)
• InChIKey: PIKNOIBXPOVXJU-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 160.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide?

The IUPAC name of N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide (CID 23586829) is N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide.

What is the SMILES notation for N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide?

The canonical SMILES for N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide is CCC(NC(=O)C(CS(=O)(=O)CC(C)C)NC(=O)N1CCOCC1)C(=O)c1noc(-c2ccsc2)n1.

What is the InChIKey of N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide?

The InChIKey is PIKNOIBXPOVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O7S2/c1-4-16(18(28)19-25-21(34-26-19)15-5-10-35-11-15)23-20(29)17(13-36(31,32)12-14(2)3)24-22(30)27-6-8-33-9-7-27/h5,10-11,14,16-17H,4,6-9,12-13H2,1-3H3,(H,23,29)(H,24,30).

What are the key properties of N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide?

N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 1.36, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 23586829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).