2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide

C24H24Cl2N2O4S — CID 126393677

IUPAC2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-17-8-11-22(32-2)23(12-17)33(30,31)28(15-18-6-4-3-5-7-18)16-24(29)27-14-19-9-10-20(25)13-21(19)26/h3-13H,14-16H2,1-2H3,(H,27,29)
InChIKeyMGFLPBYFJSCJOB-UHFFFAOYSA-N
MW507.44 g/mol
LogP4.82
Rot. Bonds9

About 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 126393677) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID126393677
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-17-8-11-22(32-2)23(12-17)33(30,31)28(15-18-6-4-3-5-7-18)16-24(29)27-14-19-9-10-20(25)13-21(19)26/h3-13H,14-16H2,1-2H3,(H,27,29)
InChIKeyMGFLPBYFJSCJOB-UHFFFAOYSA-N
XLogP4.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide with MolForge

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Related Compounds

N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546764
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872365
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100795494
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 43872067
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126321404
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 3584620
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3275568

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 126393677) is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is MGFLPBYFJSCJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-17-8-11-22(32-2)23(12-17)33(30,31)28(15-18-6-4-3-5-7-18)16-24(29)27-14-19-9-10-20(25)13-21(19)26/h3-13H,14-16H2,1-2H3,(H,27,29).
What are the key properties of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 507.44 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 126393677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).