4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide

C24H25ClN2O5S — CID 30391343

IUPAC4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-31-22-13-6-18(14-23(22)32-2)15-26-24(28)19-7-11-21(12-8-19)27(33(3,29)30)16-17-4-9-20(25)10-5-17/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyJVZPVODIKZDCBH-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.25
Rot. Bonds9

About 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 30391343) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
PubChem CID30391343
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-31-22-13-6-18(14-23(22)32-2)15-26-24(28)19-7-11-21(12-8-19)27(33(3,29)30)16-17-4-9-20(25)10-5-17/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyJVZPVODIKZDCBH-UHFFFAOYSA-N
XLogP4.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 100500514
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 30398853
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896
N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 53287248
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 43877159
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53280554
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 99959166
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53282579

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide (CID 30391343) is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is JVZPVODIKZDCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-31-22-13-6-18(14-23(22)32-2)15-26-24(28)19-7-11-21(12-8-19)27(33(3,29)30)16-17-4-9-20(25)10-5-17/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 488.99 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 30391343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).