4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide

C23H23BrN2O6S — CID 71747455

IUPAC4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide
SMILESCOc1ccc(OC)c(COc2cc(NC(=O)c3ccc(Br)cc3)ccc2NS(C)(=O)=O)c1
InChIInChI=1S/C23H23BrN2O6S/c1-30-19-9-11-21(31-2)16(12-19)14-32-22-13-18(8-10-20(22)26-33(3,28)29)25-23(27)15-4-6-17(24)7-5-15/h4-13,26H,14H2,1-3H3,(H,25,27)
InChIKeyOVSPUTNOWQJAED-UHFFFAOYSA-N
MW535.42 g/mol
LogP4.67
Rot. Bonds9

About 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide

4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide (PubChem CID 71747455) has the molecular formula C23H23BrN2O6S and a molecular weight of 535.42 g/mol. Its IUPAC name is 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide
PubChem CID71747455
Molecular FormulaC23H23BrN2O6S
Molecular Weight535.42 g/mol
Exact Mass534.05
IUPAC Name4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide
SMILESCOc1ccc(OC)c(COc2cc(NC(=O)c3ccc(Br)cc3)ccc2NS(C)(=O)=O)c1
InChIInChI=1S/C23H23BrN2O6S/c1-30-19-9-11-21(31-2)16(12-19)14-32-22-13-18(8-10-20(22)26-33(3,28)29)25-23(27)15-4-6-17(24)7-5-15/h4-13,26H,14H2,1-3H3,(H,25,27)
InChIKeyOVSPUTNOWQJAED-UHFFFAOYSA-N
XLogP4.67
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 71747642
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 71747643
4-bromo-N'-[2-(2,5-dimethoxyphenyl)acetyl]benzohydrazide
CID 78805092
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
1-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]-3-(3-methoxyphenyl)thiourea
CID 19581719
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
[4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide
CID 4748151
3-bromo-5-ethoxy-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methoxybenzamide
CID 24673293

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide (CID 71747455) is 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide is COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(Br)cc3)ccc2NS(C)(=O)=O)c1.
What is the InChIKey of 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide?
The InChIKey is OVSPUTNOWQJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O6S/c1-30-19-9-11-21(31-2)16(12-19)14-32-22-13-18(8-10-20(22)26-33(3,28)29)25-23(27)15-4-6-17(24)7-5-15/h4-13,26H,14H2,1-3H3,(H,25,27).
What are the key properties of 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide?
4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide has a molecular weight of 535.42 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide is sourced from PubChem (CID 71747455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).