2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C25H26Cl2N2O5S — CID 43872067

IUPAC2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H26Cl2N2O5S/c1-17-4-9-21(10-5-17)35(31,32)29(15-19-7-8-20(26)13-22(19)27)16-25(30)28-14-18-6-11-23(33-2)24(12-18)34-3/h4-13H,14-16H2,1-3H3,(H,28,30)
InChIKeyMWLMBDWBZREFNV-UHFFFAOYSA-N
MW537.47 g/mol
LogP4.83
Rot. Bonds10

About 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 43872067) has the molecular formula C25H26Cl2N2O5S and a molecular weight of 537.47 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID43872067
Molecular FormulaC25H26Cl2N2O5S
Molecular Weight537.47 g/mol
Exact Mass536.09
IUPAC Name2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H26Cl2N2O5S/c1-17-4-9-21(10-5-17)35(31,32)29(15-19-7-8-20(26)13-22(19)27)16-25(30)28-14-18-6-11-23(33-2)24(12-18)34-3/h4-13H,14-16H2,1-3H3,(H,28,30)
InChIKeyMWLMBDWBZREFNV-UHFFFAOYSA-N
XLogP4.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544586
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544909
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28545687
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460404
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 43872181
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126321404
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4239320
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126063511
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301025
N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126071780
2-[4-[[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793363
N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070095

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 43872067) is 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is MWLMBDWBZREFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O5S/c1-17-4-9-21(10-5-17)35(31,32)29(15-19-7-8-20(26)13-22(19)27)16-25(30)28-14-18-6-11-23(33-2)24(12-18)34-3/h4-13H,14-16H2,1-3H3,(H,28,30).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 537.47 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 43872067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).