2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide

C25H28F2N2O6S — CID 59267850

IUPAC2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCOc1ccc(COCC(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)c3ccc(F)cc3F)on2)cc1
InChIInChI=1S/C25H28F2N2O6S/c1-24(2,15-34-14-16-6-9-18(33-5)10-7-16)21-13-22(35-29-21)28-23(30)25(3,4)36(31,32)20-11-8-17(26)12-19(20)27/h6-13H,14-15H2,1-5H3,(H,28,30)
InChIKeyMSWAIJZCBROJMS-UHFFFAOYSA-N
MW522.57 g/mol
LogP4.65
Rot. Bonds10

About 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide

2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 59267850) has the molecular formula C25H28F2N2O6S and a molecular weight of 522.57 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
PubChem CID59267850
Molecular FormulaC25H28F2N2O6S
Molecular Weight522.57 g/mol
Exact Mass522.16
IUPAC Name2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCOc1ccc(COCC(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)c3ccc(F)cc3F)on2)cc1
InChIInChI=1S/C25H28F2N2O6S/c1-24(2,15-34-14-16-6-9-18(33-5)10-7-16)21-13-22(35-29-21)28-23(30)25(3,4)36(31,32)20-11-8-17(26)12-19(20)27/h6-13H,14-15H2,1-5H3,(H,28,30)
InChIKeyMSWAIJZCBROJMS-UHFFFAOYSA-N
XLogP4.65
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(azetidin-1-ylsulfonyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 54771952
1-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-3-methyl-3-(oxan-4-ylmethylsulfonyl)butan-2-one
CID 157302746
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159006128
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
CID 58198732
2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 51348564
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide;2-(4-cyano-2-fluorophenyl)sulfonyl-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159912807
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
2-[4-[4-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 90422423
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 58198380
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide
CID 68857257
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide (CID 59267850) is 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide is COc1ccc(COCC(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)c3ccc(F)cc3F)on2)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?
The InChIKey is MSWAIJZCBROJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O6S/c1-24(2,15-34-14-16-6-9-18(33-5)10-7-16)21-13-22(35-29-21)28-23(30)25(3,4)36(31,32)20-11-8-17(26)12-19(20)27/h6-13H,14-15H2,1-5H3,(H,28,30).
What are the key properties of 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide?
2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 522.57 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonyl-N-[3-[1-[(4-methoxyphenyl)methoxy]-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 59267850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).