2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide

C32H34FN3O7S — CID 12986132

IUPAC2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide
SMILESCOC1(c2cc(F)cc(OCC(=O)N(C)CCc3nc(-c4ccc(S(N)(=O)=O)cc4)c(-c4ccccc4)o3)c2)CCOCC1
InChIInChI=1S/C32H34FN3O7S/c1-36(29(37)21-42-26-19-24(18-25(33)20-26)32(40-2)13-16-41-17-14-32)15-12-28-35-30(31(43-28)23-6-4-3-5-7-23)22-8-10-27(11-9-22)44(34,38)39/h3-11,18-20H,12-17,21H2,1-2H3,(H2,34,38,39)
InChIKeyGQUNRXXIIYQKFK-UHFFFAOYSA-N
MW623.70 g/mol
LogP4.53
Rot. Bonds11

About 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide

2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide (PubChem CID 12986132) has the molecular formula C32H34FN3O7S and a molecular weight of 623.70 g/mol. Its IUPAC name is 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide
PubChem CID12986132
Molecular FormulaC32H34FN3O7S
Molecular Weight623.70 g/mol
Exact Mass623.21
IUPAC Name2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide
SMILESCOC1(c2cc(F)cc(OCC(=O)N(C)CCc3nc(-c4ccc(S(N)(=O)=O)cc4)c(-c4ccccc4)o3)c2)CCOCC1
InChIInChI=1S/C32H34FN3O7S/c1-36(29(37)21-42-26-19-24(18-25(33)20-26)32(40-2)13-16-41-17-14-32)15-12-28-35-30(31(43-28)23-6-4-3-5-7-23)22-8-10-27(11-9-22)44(34,38)39/h3-11,18-20H,12-17,21H2,1-2H3,(H2,34,38,39)
InChIKeyGQUNRXXIIYQKFK-UHFFFAOYSA-N
XLogP4.53
TPSA134.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.70
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide (CID 12986132) is 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide is COC1(c2cc(F)cc(OCC(=O)N(C)CCc3nc(-c4ccc(S(N)(=O)=O)cc4)c(-c4ccccc4)o3)c2)CCOCC1.
What is the InChIKey of 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide?
The InChIKey is GQUNRXXIIYQKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O7S/c1-36(29(37)21-42-26-19-24(18-25(33)20-26)32(40-2)13-16-41-17-14-32)15-12-28-35-30(31(43-28)23-6-4-3-5-7-23)22-8-10-27(11-9-22)44(34,38)39/h3-11,18-20H,12-17,21H2,1-2H3,(H2,34,38,39).
What are the key properties of 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide?
2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide has a molecular weight of 623.70 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]-N-methyl-N-[2-[5-phenyl-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 12986132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).