2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide

C19H22Cl2N2O5S — CID 100797518

IUPAC2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(OC)c1CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O5S/c1-27-17-5-4-6-18(28-2)14(17)10-22-19(24)12-23(29(3,25)26)11-13-7-8-15(20)16(21)9-13/h4-9H,10-12H2,1-3H3,(H,22,24)
InChIKeyZERMUZQSGASRIE-UHFFFAOYSA-N
MW461.37 g/mol
LogP3.09
Rot. Bonds9

About 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide

2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide (PubChem CID 100797518) has the molecular formula C19H22Cl2N2O5S and a molecular weight of 461.37 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
PubChem CID100797518
Molecular FormulaC19H22Cl2N2O5S
Molecular Weight461.37 g/mol
Exact Mass460.06
IUPAC Name2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cccc(OC)c1CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O5S/c1-27-17-5-4-6-18(28-2)14(17)10-22-19(24)12-23(29(3,25)26)11-13-7-8-15(20)16(21)9-13/h4-9H,10-12H2,1-3H3,(H,22,24)
InChIKeyZERMUZQSGASRIE-UHFFFAOYSA-N
XLogP3.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126011388
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 1341129
2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797510
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992
2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide
CID 100797562
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 126203271
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126415640
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 126396765
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100512988
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871849
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28547324

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide (CID 100797518) is 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide is COc1cccc(OC)c1CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide?
The InChIKey is ZERMUZQSGASRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O5S/c1-27-17-5-4-6-18(28-2)14(17)10-22-19(24)12-23(29(3,25)26)11-13-7-8-15(20)16(21)9-13/h4-9H,10-12H2,1-3H3,(H,22,24).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide?
2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide has a molecular weight of 461.37 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 100797518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).