2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H17N3O5S — CID 4844683

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H17N3O5S/c1-10-8-14(17-23-10)16-15(20)9-18(3)24(21,22)13-6-4-12(5-7-13)11(2)19/h4-8H,9H2,1-3H3,(H,16,17,20)
InChIKeyFPCMDUFXGRDIAI-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.44
Rot. Bonds6

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4844683) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4844683
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H17N3O5S/c1-10-8-14(17-23-10)16-15(20)9-18(3)24(21,22)13-6-4-12(5-7-13)11(2)19/h4-8H,9H2,1-3H3,(H,16,17,20)
InChIKeyFPCMDUFXGRDIAI-UHFFFAOYSA-N
XLogP1.44
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4844683) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is FPCMDUFXGRDIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-10-8-14(17-23-10)16-15(20)9-18(3)24(21,22)13-6-4-12(5-7-13)11(2)19/h4-8H,9H2,1-3H3,(H,16,17,20).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 351.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4844683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).