2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide

C16H17FN2O4S — CID 1298773

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-19(24(21,22)13-9-7-12(17)8-10-13)11-16(20)18-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyVBCJXHUNFOSYHY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.09
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 1298773) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID1298773
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S/c1-19(24(21,22)13-9-7-12(17)8-10-13)11-16(20)18-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyVBCJXHUNFOSYHY-UHFFFAOYSA-N
XLogP2.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide (CID 1298773) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is VBCJXHUNFOSYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-19(24(21,22)13-9-7-12(17)8-10-13)11-16(20)18-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1298773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).