2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide

C14H16FN3O4S — CID 110408001

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H16FN3O4S/c1-8-13(10(3)22-17-8)23(20,21)18-9(2)14(19)16-12-7-5-4-6-11(12)15/h4-7,9,18H,1-3H3,(H,16,19)
InChIKeyJJWBGDNNNHQNCQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.74
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide (PubChem CID 110408001) 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)sulfonylamino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
PubChem CID110408001
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H16FN3O4S/c1-8-13(10(3)22-17-8)23(20,21)18-9(2)14(19)16-12-7-5-4-6-11(12)15/h4-7,9,18H,1-3H3,(H,16,19)
InChIKeyJJWBGDNNNHQNCQ-UHFFFAOYSA-N
XLogP1.74
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890221
(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8870743
(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119243729
3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 36838227
N-(2-fluorophenyl)-2-(methylsulfamoylamino)propanamide
CID 110606507
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110601229
(2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 984226
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 37293945
N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide (CID 110408001) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide is Cc1noc(C)c1S(=O)(=O)NC(C)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide?
The InChIKey is JJWBGDNNNHQNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-8-13(10(3)22-17-8)23(20,21)18-9(2)14(19)16-12-7-5-4-6-11(12)15/h4-7,9,18H,1-3H3,(H,16,19).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide has a molecular weight of 341.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 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)sulfonylamino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110408001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).