N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide

C26H36N2O7S — CID 131988288

About N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide

N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide (PubChem CID 131988288) has the molecular formula C26H36N2O7S and a molecular weight of 520.65 g/mol. Its IUPAC name is N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide
• PubChem CID: 131988288
• Molecular Formula: C26H36N2O7S
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.22
• IUPAC Name: N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide
• SMILES: COc1cc(C(=O)N(CCCc2ccccc2)CCOC(C)(C)C(=O)NS(C)(=O)=O)cc(OC)c1C
• InChI: InChI=1S/C26H36N2O7S/c1-19-22(33-4)17-21(18-23(19)34-5)24(29)28(14-10-13-20-11-8-7-9-12-20)15-16-35-26(2,3)25(30)27-36(6,31)32/h7-9,11-12,17-18H,10,13-16H2,1-6H3,(H,27,30)
• InChIKey: MPGWRSGHDUYEHW-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 111.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide?

The IUPAC name of N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide (CID 131988288) is N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide.

What is the SMILES notation for N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide?

The canonical SMILES for N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide is COc1cc(C(=O)N(CCCc2ccccc2)CCOC(C)(C)C(=O)NS(C)(=O)=O)cc(OC)c1C.

What is the InChIKey of N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide?

The InChIKey is MPGWRSGHDUYEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O7S/c1-19-22(33-4)17-21(18-23(19)34-5)24(29)28(14-10-13-20-11-8-7-9-12-20)15-16-35-26(2,3)25(30)27-36(6,31)32/h7-9,11-12,17-18H,10,13-16H2,1-6H3,(H,27,30).

What are the key properties of N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide?

N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide has a molecular weight of 520.65 g/mol, XLogP of 2.96, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 131988288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).