4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide

C23H23ClN2O4S — CID 1117135

IUPAC4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-30-22-6-4-3-5-19(22)15-25-23(27)18-9-13-21(14-10-18)26(31(2,28)29)16-17-7-11-20(24)12-8-17/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyJTJGCZMSKSQOPU-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.24
Rot. Bonds8

About 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 1117135) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID1117135
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-30-22-6-4-3-5-19(22)15-25-23(27)18-9-13-21(14-10-18)26(31(2,28)29)16-17-7-11-20(24)12-8-17/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyJTJGCZMSKSQOPU-UHFFFAOYSA-N
XLogP4.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 30391343
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951576
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287059
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287191
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 53287248
N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 28578521

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide (CID 1117135) is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is JTJGCZMSKSQOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-30-22-6-4-3-5-19(22)15-25-23(27)18-9-13-21(14-10-18)26(31(2,28)29)16-17-7-11-20(24)12-8-17/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide?
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 458.97 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 1117135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).