N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide

C18H20Cl2N2O5S — CID 30148202

IUPACN-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(N(C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H20Cl2N2O5S/c1-22(28(4,24)25)15-9-17(27-3)16(26-2)8-13(15)18(23)21-10-11-5-6-12(19)7-14(11)20/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyVIEUPMCZDOVAIZ-UHFFFAOYSA-N
MW447.34 g/mol
LogP3.34
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide

N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 30148202) has the molecular formula C18H20Cl2N2O5S and a molecular weight of 447.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID30148202
Molecular FormulaC18H20Cl2N2O5S
Molecular Weight447.34 g/mol
Exact Mass446.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(N(C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H20Cl2N2O5S/c1-22(28(4,24)25)15-9-17(27-3)16(26-2)8-13(15)18(23)21-10-11-5-6-12(19)7-14(11)20/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyVIEUPMCZDOVAIZ-UHFFFAOYSA-N
XLogP3.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-(2,4-dichlorophenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149954
2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
CID 46741538
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342745
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 30151398
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
CID 162436580

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide (CID 30148202) is N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide is COc1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(N(C)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is VIEUPMCZDOVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O5S/c1-22(28(4,24)25)15-9-17(27-3)16(26-2)8-13(15)18(23)21-10-11-5-6-12(19)7-14(11)20/h5-9H,10H2,1-4H3,(H,21,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide?
N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 447.34 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 30148202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).