2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C20H22N4O4S — CID 17020263

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-14-4-8-16(9-5-14)20-22-19(28-23-20)12-21-18(25)13-24(3)29(26,27)17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyBNWFFZUUBGWMQG-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.29
Rot. Bonds7

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 17020263) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID17020263
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-14-4-8-16(9-5-14)20-22-19(28-23-20)12-21-18(25)13-24(3)29(26,27)17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyBNWFFZUUBGWMQG-UHFFFAOYSA-N
XLogP2.29
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 17020263) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is BNWFFZUUBGWMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14-4-8-16(9-5-14)20-22-19(28-23-20)12-21-18(25)13-24(3)29(26,27)17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3,(H,21,25).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 17020263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).