N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide

C30H43N5O5S — CID 58760270

About N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide

N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 58760270) has the molecular formula C30H43N5O5S and a molecular weight of 585.77 g/mol. Its IUPAC name is N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide
• PubChem CID: 58760270
• Molecular Formula: C30H43N5O5S
• Molecular Weight: 585.77 g/mol
• Exact Mass: 585.30
• IUPAC Name: N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide
• SMILES: CC(C)CC(NC(=O)C1(NC(=O)c2ccc(CN3CCOCC3)cc2)CCCCC1)C(=O)c1nnc(SC(C)C)o1
• InChI: InChI=1S/C30H43N5O5S/c1-20(2)18-24(25(36)27-33-34-29(40-27)41-21(3)4)31-28(38)30(12-6-5-7-13-30)32-26(37)23-10-8-22(9-11-23)19-35-14-16-39-17-15-35/h8-11,20-21,24H,5-7,12-19H2,1-4H3,(H,31,38)(H,32,37)
• InChIKey: IHPJTVFICSENLF-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 126.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.77
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide?

The IUPAC name of N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide (CID 58760270) is N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide.

What is the SMILES notation for N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide?

The canonical SMILES for N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide is CC(C)CC(NC(=O)C1(NC(=O)c2ccc(CN3CCOCC3)cc2)CCCCC1)C(=O)c1nnc(SC(C)C)o1.

What is the InChIKey of N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide?

The InChIKey is IHPJTVFICSENLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O5S/c1-20(2)18-24(25(36)27-33-34-29(40-27)41-21(3)4)31-28(38)30(12-6-5-7-13-30)32-26(37)23-10-8-22(9-11-23)19-35-14-16-39-17-15-35/h8-11,20-21,24H,5-7,12-19H2,1-4H3,(H,31,38)(H,32,37).

What are the key properties of N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide?

N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 585.77 g/mol, XLogP of 4.25, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 58760270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).