4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide

C23H23ClN2O5S — CID 55959946

IUPAC4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-32(28,29)26-20-11-9-19(10-12-20)25-23(27)17-6-13-21(22(14-17)30-2)31-15-16-4-7-18(24)8-5-16/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyYPOAWZBASXGAQE-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.94
Rot. Bonds9

About 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide

4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide (PubChem CID 55959946) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
PubChem CID55959946
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-32(28,29)26-20-11-9-19(10-12-20)25-23(27)17-6-13-21(22(14-17)30-2)31-15-16-4-7-18(24)8-5-16/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyYPOAWZBASXGAQE-UHFFFAOYSA-N
XLogP4.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
CID 60599216
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3489384
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55947038
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide (CID 55959946) is 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide?
The InChIKey is YPOAWZBASXGAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-3-32(28,29)26-20-11-9-19(10-12-20)25-23(27)17-6-13-21(22(14-17)30-2)31-15-16-4-7-18(24)8-5-16/h4-14,26H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide?
4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide has a molecular weight of 474.97 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 55959946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).