2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C23H22ClNO4S — CID 55433083

IUPAC2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H22ClNO4S/c1-16(18-9-13-20(14-10-18)30(2,27)28)25-23(26)21-5-3-4-6-22(21)29-15-17-7-11-19(24)12-8-17/h3-14,16H,15H2,1-2H3,(H,25,26)
InChIKeyOWMQYPQIDOCYIY-UHFFFAOYSA-N
MW443.95 g/mol
LogP4.81
Rot. Bonds7

About 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 55433083) has the molecular formula C23H22ClNO4S and a molecular weight of 443.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID55433083
Molecular FormulaC23H22ClNO4S
Molecular Weight443.95 g/mol
Exact Mass443.10
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H22ClNO4S/c1-16(18-9-13-20(14-10-18)30(2,27)28)25-23(26)21-5-3-4-6-22(21)29-15-17-7-11-19(24)12-8-17/h3-14,16H,15H2,1-2H3,(H,25,26)
InChIKeyOWMQYPQIDOCYIY-UHFFFAOYSA-N
XLogP4.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 60535034
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 30823999
2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide
CID 9071253
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
CID 174458853
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 133165406
2-[(4-chlorophenyl)methoxy]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2120385
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 55433083) is 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is OWMQYPQIDOCYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S/c1-16(18-9-13-20(14-10-18)30(2,27)28)25-23(26)21-5-3-4-6-22(21)29-15-17-7-11-19(24)12-8-17/h3-14,16H,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 443.95 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 55433083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).