2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide

C22H21FN2O5S — CID 37259434

IUPAC2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C22H21FN2O5S/c1-29-21-13-17(11-12-19(21)25-31(2,27)28)24-22(26)18-5-3-4-6-20(18)30-14-15-7-9-16(23)10-8-15/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyBJWOYMLNBPLHFR-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.04
Rot. Bonds8

About 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide

2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide (PubChem CID 37259434) has the molecular formula C22H21FN2O5S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
PubChem CID37259434
Molecular FormulaC22H21FN2O5S
Molecular Weight444.48 g/mol
Exact Mass444.12
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C22H21FN2O5S/c1-29-21-13-17(11-12-19(21)25-31(2,27)28)24-22(26)18-5-3-4-6-20(18)30-14-15-7-9-16(23)10-8-15/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyBJWOYMLNBPLHFR-UHFFFAOYSA-N
XLogP4.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
2-[(4-fluorophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 16550314
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 24673316
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55618847
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)-3-methoxyphenyl]propanamide
CID 55635947

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide (CID 37259434) is 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide is COc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1NS(C)(=O)=O.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The InChIKey is BJWOYMLNBPLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S/c1-29-21-13-17(11-12-19(21)25-31(2,27)28)24-22(26)18-5-3-4-6-20(18)30-14-15-7-9-16(23)10-8-15/h3-13,25H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide has a molecular weight of 444.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide is sourced from PubChem (CID 37259434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).