2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide

C22H21ClN2O4S — CID 46463772

IUPAC2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-24-30(27,28)18-12-10-16(11-13-18)14-25-22(26)19-7-3-5-9-21(19)29-15-17-6-2-4-8-20(17)23/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyKUUWCMCLRSYCDD-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.76
Rot. Bonds8

About 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide

2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 46463772) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
PubChem CID46463772
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-24-30(27,28)18-12-10-16(11-13-18)14-25-22(26)19-7-3-5-9-21(19)29-15-17-6-2-4-8-20(17)23/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyKUUWCMCLRSYCDD-UHFFFAOYSA-N
XLogP3.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-2-[(2-chlorophenyl)methoxy]benzamide
CID 32636545
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 27568145
2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463295
2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide
CID 7935492
N-(3-amino-2-methylpropyl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
CID 119997645
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690342
2-[(2-chlorophenyl)methoxy]-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526385
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide (CID 46463772) is 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide is CNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is KUUWCMCLRSYCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-24-30(27,28)18-12-10-16(11-13-18)14-25-22(26)19-7-3-5-9-21(19)29-15-17-6-2-4-8-20(17)23/h2-13,24H,14-15H2,1H3,(H,25,26).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 444.94 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46463772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).