N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide

C22H17FN2O5S — CID 18590145

IUPACN-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccccc3)C(=O)c3ccccc3F)ccc21
InChIInChI=1S/C22H17FN2O5S/c1-24-19-12-11-16(13-20(19)30-22(24)27)31(28,29)25(14-15-7-3-2-4-8-15)21(26)17-9-5-6-10-18(17)23/h2-13H,14H2,1H3
InChIKeyUNEGJAOTOHLMJK-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.30
Rot. Bonds5

About N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide

N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide (PubChem CID 18590145) has the molecular formula C22H17FN2O5S and a molecular weight of 440.45 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide
PubChem CID18590145
Molecular FormulaC22H17FN2O5S
Molecular Weight440.45 g/mol
Exact Mass440.08
IUPAC NameN-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccccc3)C(=O)c3ccccc3F)ccc21
InChIInChI=1S/C22H17FN2O5S/c1-24-19-12-11-16(13-20(19)30-22(24)27)31(28,29)25(14-15-7-3-2-4-8-15)21(26)17-9-5-6-10-18(17)23/h2-13H,14H2,1H3
InChIKeyUNEGJAOTOHLMJK-UHFFFAOYSA-N
XLogP3.30
TPSA89.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39983419
N-(furan-2-ylmethyl)-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanamide
CID 7574126
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 6619734
N-cyclopropyl-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 47022474
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483
methyl 2-[6-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051865
3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid
CID 154582026
N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 126458308

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide?
The IUPAC name of N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide (CID 18590145) is N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide?
The canonical SMILES for N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide is Cn1c(=O)oc2cc(S(=O)(=O)N(Cc3ccccc3)C(=O)c3ccccc3F)ccc21.
What is the InChIKey of N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide?
The InChIKey is UNEGJAOTOHLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O5S/c1-24-19-12-11-16(13-20(19)30-22(24)27)31(28,29)25(14-15-7-3-2-4-8-15)21(26)17-9-5-6-10-18(17)23/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide?
N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide has a molecular weight of 440.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzamide is sourced from PubChem (CID 18590145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).