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

C17H20F2N2O4S — CID 24855904

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cc(F)ccc2F)no1
InChIInChI=1S/C17H20F2N2O4S/c1-16(2,3)13-9-14(21-25-13)20-15(22)17(4,5)26(23,24)12-8-10(18)6-7-11(12)19/h6-9H,1-5H3,(H,20,21,22)
InChIKeyBVXZHDPQGDBBEP-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.44
Rot. Bonds4

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 24855904) has the molecular formula C17H20F2N2O4S and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide
PubChem CID24855904
Molecular FormulaC17H20F2N2O4S
Molecular Weight386.42 g/mol
Exact Mass386.11
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cc(F)ccc2F)no1
InChIInChI=1S/C17H20F2N2O4S/c1-16(2,3)13-9-14(21-25-13)20-15(22)17(4,5)26(23,24)12-8-10(18)6-7-11(12)19/h6-9H,1-5H3,(H,20,21,22)
InChIKeyBVXZHDPQGDBBEP-UHFFFAOYSA-N
XLogP3.44
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.44
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-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide (CID 24855904) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cc(F)ccc2F)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is BVXZHDPQGDBBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O4S/c1-16(2,3)13-9-14(21-25-13)20-15(22)17(4,5)26(23,24)12-8-10(18)6-7-11(12)19/h6-9H,1-5H3,(H,20,21,22).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 386.42 g/mol, XLogP of 3.44, 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-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 24855904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).