N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide

C23H18F2N2O4S — CID 57378967

IUPACN-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ccc(F)cc3o2)cc1
InChIInChI=1S/C23H18F2N2O4S/c1-32(29,30)18-9-4-15(5-10-18)19(12-14-2-6-16(24)7-3-14)22(28)27-23-26-20-11-8-17(25)13-21(20)31-23/h2-11,13,19H,12H2,1H3,(H,26,27,28)
InChIKeyLTKSWPSPNLUIIC-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.47
Rot. Bonds6

About N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide

N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 57378967) has the molecular formula C23H18F2N2O4S and a molecular weight of 456.47 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
PubChem CID57378967
Molecular FormulaC23H18F2N2O4S
Molecular Weight456.47 g/mol
Exact Mass456.10
IUPAC NameN-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ccc(F)cc3o2)cc1
InChIInChI=1S/C23H18F2N2O4S/c1-32(29,30)18-9-4-15(5-10-18)19(12-14-2-6-16(24)7-3-14)22(28)27-23-26-20-11-8-17(25)13-21(20)31-23/h2-11,13,19H,12H2,1H3,(H,26,27,28)
InChIKeyLTKSWPSPNLUIIC-UHFFFAOYSA-N
XLogP4.47
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-tert-butylsilyloxypropan-2-yl)-1,3-benzoxazol-2-yl]-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
CID 131740415
3-(4-fluorophenyl)-N-(5-methoxy-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide
CID 57378965
3-(4-fluorophenyl)-N-(7-methyl-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide
CID 57378963
N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
CID 57378617
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
CID 110166005
N-(5-chloro-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide
CID 21094196
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16917609
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
CID 53387738
6-fluoro-N-propyl-1,3-benzoxazol-2-amine
CID 123750447
2-N-(6-fluoro-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83834399
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
1-(1,3-benzoxazol-2-yl)-4-(2-chlorophenyl)-3-(4-methylsulfonylphenyl)butan-2-one
CID 158088031

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide (CID 57378967) is N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ccc(F)cc3o2)cc1.
What is the InChIKey of N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is LTKSWPSPNLUIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O4S/c1-32(29,30)18-9-4-15(5-10-18)19(12-14-2-6-16(24)7-3-14)22(28)27-23-26-20-11-8-17(25)13-21(20)31-23/h2-11,13,19H,12H2,1H3,(H,26,27,28).
What are the key properties of N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide?
N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 456.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 57378967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).