2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide

C14H20N2O5S — CID 69399643

IUPAC2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide
SMILESCOc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(=O)C(N)=O
InChIInChI=1S/C14H20N2O5S/c1-14(2,3)8-6-9(11(17)13(15)18)12(21-4)10(7-8)16-22(5,19)20/h6-7,16H,1-5H3,(H2,15,18)
InChIKeySSXVVIJPPMJIBH-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.03
Rot. Bonds5

About 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide

2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide (PubChem CID 69399643) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide
PubChem CID69399643
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide
SMILESCOc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(=O)C(N)=O
InChIInChI=1S/C14H20N2O5S/c1-14(2,3)8-6-9(11(17)13(15)18)12(21-4)10(7-8)16-22(5,19)20/h6-7,16H,1-5H3,(H2,15,18)
InChIKeySSXVVIJPPMJIBH-UHFFFAOYSA-N
XLogP1.03
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide?
The IUPAC name of 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide (CID 69399643) is 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide.
What is the SMILES notation for 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide?
The canonical SMILES for 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide is COc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(=O)C(N)=O.
What is the InChIKey of 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide?
The InChIKey is SSXVVIJPPMJIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-14(2,3)8-6-9(11(17)13(15)18)12(21-4)10(7-8)16-22(5,19)20/h6-7,16H,1-5H3,(H2,15,18).
What are the key properties of 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide?
2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide has a molecular weight of 328.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide is sourced from PubChem (CID 69399643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).