N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide

C23H22Cl2N2O4S — CID 71904798

IUPACN-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-31-20-10-12-21(13-11-20)32(29,30)27(15-18-4-2-3-5-22(18)25)16-23(28)26-14-17-6-8-19(24)9-7-17/h2-13H,14-16H2,1H3,(H,26,28)
InChIKeyBSEZOAGLLOBETO-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.51
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 71904798) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID71904798
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-31-20-10-12-21(13-11-20)32(29,30)27(15-18-4-2-3-5-22(18)25)16-23(28)26-14-17-6-8-19(24)9-7-17/h2-13H,14-16H2,1H3,(H,26,28)
InChIKeyBSEZOAGLLOBETO-UHFFFAOYSA-N
XLogP4.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3266857
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544586
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126011388
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126064644
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460404
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4239320
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 126033598
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126321404
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28545687
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874583
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793679
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide (CID 71904798) is N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2)Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is BSEZOAGLLOBETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-31-20-10-12-21(13-11-20)32(29,30)27(15-18-4-2-3-5-22(18)25)16-23(28)26-14-17-6-8-19(24)9-7-17/h2-13H,14-16H2,1H3,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 493.41 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 71904798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).