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

C14H17FN4O4S — CID 86285763

IUPAC2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1nnc(CN(C)C(=O)CNS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C14H17FN4O4S/c1-9-6-11(15)4-5-12(9)24(21,22)16-7-14(20)19(3)8-13-18-17-10(2)23-13/h4-6,16H,7-8H2,1-3H3
InChIKeyGQPOBTUYXXRGEP-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.76
Rot. Bonds6

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

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 86285763) has the molecular formula C14H17FN4O4S and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID86285763
Molecular FormulaC14H17FN4O4S
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1nnc(CN(C)C(=O)CNS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C14H17FN4O4S/c1-9-6-11(15)4-5-12(9)24(21,22)16-7-14(20)19(3)8-13-18-17-10(2)23-13/h4-6,16H,7-8H2,1-3H3
InChIKeyGQPOBTUYXXRGEP-UHFFFAOYSA-N
XLogP0.76
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 86285763) is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is Cc1nnc(CN(C)C(=O)CNS(=O)(=O)c2ccc(F)cc2C)o1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is GQPOBTUYXXRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O4S/c1-9-6-11(15)4-5-12(9)24(21,22)16-7-14(20)19(3)8-13-18-17-10(2)23-13/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 86285763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).