N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide

C17H21FN2O4S — CID 24856000

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2F)no1
InChIInChI=1S/C17H21FN2O4S/c1-16(2,3)13-10-14(20-24-13)19-15(21)17(4,5)25(22,23)12-9-7-6-8-11(12)18/h6-10H,1-5H3,(H,19,20,21)
InChIKeyQPIZMEHNSFXTPU-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.30
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 24856000) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide
PubChem CID24856000
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2F)no1
InChIInChI=1S/C17H21FN2O4S/c1-16(2,3)13-10-14(20-24-13)19-15(21)17(4,5)25(22,23)12-9-7-6-8-11(12)18/h6-10H,1-5H3,(H,19,20,21)
InChIKeyQPIZMEHNSFXTPU-UHFFFAOYSA-N
XLogP3.30
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide (CID 24856000) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2F)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is QPIZMEHNSFXTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-16(2,3)13-10-14(20-24-13)19-15(21)17(4,5)25(22,23)12-9-7-6-8-11(12)18/h6-10H,1-5H3,(H,19,20,21).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 368.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 24856000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).