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

C14H16FN3O4S — CID 5047238

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O4S/c1-9-14(10(2)22-17-9)23(20,21)18(3)8-13(19)16-12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeySVCOUCNIDSPWEH-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.69
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 5047238) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID5047238
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O4S/c1-9-14(10(2)22-17-9)23(20,21)18(3)8-13(19)16-12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeySVCOUCNIDSPWEH-UHFFFAOYSA-N
XLogP1.69
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 5047238) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is SVCOUCNIDSPWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-9-14(10(2)22-17-9)23(20,21)18(3)8-13(19)16-12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 341.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5047238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).