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

C23H22ClNO4S — CID 133165582

IUPAC4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H22ClNO4S/c1-16(17-9-13-21(14-10-17)30(2,27)28)25-23(26)18-7-11-20(12-8-18)29-15-19-5-3-4-6-22(19)24/h3-14,16H,15H2,1-2H3,(H,25,26)
InChIKeyOZVWONFEILNRJY-UHFFFAOYSA-N
MW443.95 g/mol
LogP4.81
Rot. Bonds7

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

4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 133165582) has the molecular formula C23H22ClNO4S and a molecular weight of 443.95 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID133165582
Molecular FormulaC23H22ClNO4S
Molecular Weight443.95 g/mol
Exact Mass443.10
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H22ClNO4S/c1-16(17-9-13-21(14-10-17)30(2,27)28)25-23(26)18-7-11-20(12-8-18)29-15-19-5-3-4-6-22(19)24/h3-14,16H,15H2,1-2H3,(H,25,26)
InChIKeyOZVWONFEILNRJY-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

4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 132666759
4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190710
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896
3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100583410
N-[4-[(2R)-butan-2-yl]phenyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 8814272
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
1-[4-[(2-chlorophenyl)methoxy]phenyl]ethanamine
CID 43189009

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 133165582) is 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is OZVWONFEILNRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S/c1-16(17-9-13-21(14-10-17)30(2,27)28)25-23(26)18-7-11-20(12-8-18)29-15-19-5-3-4-6-22(19)24/h3-14,16H,15H2,1-2H3,(H,25,26).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
4-[(2-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 4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 133165582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).