2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide

C26H32N4O6S — CID 10301946

IUPAC2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide
SMILESCC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)nc(C(C)C)cn2c1Cc1ccccc1
InChIInChI=1S/C26H32N4O6S/c1-15(2)11-18-20(12-17-9-7-6-8-10-17)30-13-19(16(3)4)28-26(23(30)22(18)24(32)25(27)33)36-14-21(31)29-37(5,34)35/h6-10,13,15-16H,11-12,14H2,1-5H3,(H2,27,33)(H,29,31)
InChIKeyIKFOXKDFKINVKI-UHFFFAOYSA-N
MW528.63 g/mol
LogP2.37
Rot. Bonds11

About 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide

2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide (PubChem CID 10301946) has the molecular formula C26H32N4O6S and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide
PubChem CID10301946
Molecular FormulaC26H32N4O6S
Molecular Weight528.63 g/mol
Exact Mass528.20
IUPAC Name2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide
SMILESCC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)nc(C(C)C)cn2c1Cc1ccccc1
InChIInChI=1S/C26H32N4O6S/c1-15(2)11-18-20(12-17-9-7-6-8-10-17)30-13-19(16(3)4)28-26(23(30)22(18)24(32)25(27)33)36-14-21(31)29-37(5,34)35/h6-10,13,15-16H,11-12,14H2,1-5H3,(H2,27,33)(H,29,31)
InChIKeyIKFOXKDFKINVKI-UHFFFAOYSA-N
XLogP2.37
TPSA149.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide?
The IUPAC name of 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide (CID 10301946) is 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide?
The canonical SMILES for 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide is CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)nc(C(C)C)cn2c1Cc1ccccc1.
What is the InChIKey of 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide?
The InChIKey is IKFOXKDFKINVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O6S/c1-15(2)11-18-20(12-17-9-7-6-8-10-17)30-13-19(16(3)4)28-26(23(30)22(18)24(32)25(27)33)36-14-21(31)29-37(5,34)35/h6-10,13,15-16H,11-12,14H2,1-5H3,(H2,27,33)(H,29,31).
What are the key properties of 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide?
2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide has a molecular weight of 528.63 g/mol, XLogP of 2.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-benzyl-1-[2-(methanesulfonamido)-2-oxoethoxy]-7-(2-methylpropyl)-3-propan-2-ylpyrrolo[1,2-a]pyrazin-8-yl]-2-oxoacetamide is sourced from PubChem (CID 10301946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).