3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide

C24H21FN2O5S — CID 57378965

IUPAC3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCOc1ccc2oc(NC(=O)C(Cc3ccc(F)cc3)c3ccc(S(C)(=O)=O)cc3)nc2c1
InChIInChI=1S/C24H21FN2O5S/c1-31-18-9-12-22-21(14-18)26-24(32-22)27-23(28)20(13-15-3-7-17(25)8-4-15)16-5-10-19(11-6-16)33(2,29)30/h3-12,14,20H,13H2,1-2H3,(H,26,27,28)
InChIKeyZSXXSQMJQYVXNX-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.34
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide

3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 57378965) has the molecular formula C24H21FN2O5S and a molecular weight of 468.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide
PubChem CID57378965
Molecular FormulaC24H21FN2O5S
Molecular Weight468.51 g/mol
Exact Mass468.12
IUPAC Name3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCOc1ccc2oc(NC(=O)C(Cc3ccc(F)cc3)c3ccc(S(C)(=O)=O)cc3)nc2c1
InChIInChI=1S/C24H21FN2O5S/c1-31-18-9-12-22-21(14-18)26-24(32-22)27-23(28)20(13-15-3-7-17(25)8-4-15)16-5-10-19(11-6-16)33(2,29)30/h3-12,14,20H,13H2,1-2H3,(H,26,27,28)
InChIKeyZSXXSQMJQYVXNX-UHFFFAOYSA-N
XLogP4.34
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide (CID 57378965) is 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide is COc1ccc2oc(NC(=O)C(Cc3ccc(F)cc3)c3ccc(S(C)(=O)=O)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is ZSXXSQMJQYVXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O5S/c1-31-18-9-12-22-21(14-18)26-24(32-22)27-23(28)20(13-15-3-7-17(25)8-4-15)16-5-10-19(11-6-16)33(2,29)30/h3-12,14,20H,13H2,1-2H3,(H,26,27,28).
What are the key properties of 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide?
3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 468.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 57378965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).