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

C17H18Cl2N2O3S — CID 16660955

IUPACN-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(22)20-10-13-6-8-15(9-7-13)21(25(2,23)24)11-14-4-3-5-16(18)17(14)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyIWKDGYYXJLXQMO-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.60
Rot. Bonds6

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

N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide (PubChem CID 16660955) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide
PubChem CID16660955
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC NameN-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(22)20-10-13-6-8-15(9-7-13)21(25(2,23)24)11-14-4-3-5-16(18)17(14)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyIWKDGYYXJLXQMO-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11270075
N-(4-(3-(2-(3,4-Dichlorophenylamino)ethylamino)-propyl)phenyl)methanesulfonamide
CID 44515310
N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide
CID 46227072
N-(2-(3,4-Dichlorophenylamino)ethyl)-3-(4-(methylsulfonamido)phenyl)propanamide
CID 46227092
N-(3,4-Dichlorocinnamyl)-3-(4-(methylsulfonamido)-phenyl)propanamide
CID 46227102
N~1~-(3-chloro-2-methylphenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1287742
2-[(4-Chloro-phenyl)-methanesulfonyl-amino]-N-(1-phenyl-ethyl)-acetamide
CID 3120123
N-(3-Chloro-4-methyl-phenyl)-2-[(3-phenyl-propylcarbamoyl)-methanesulfinyl]-acetamide
CID 3226830
N-(3-Chloro-4-methylphenyl)-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide
CID 3690816
2-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18168176
2-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 25161920

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide (CID 16660955) is N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide is CC(=O)NCc1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide?
The InChIKey is IWKDGYYXJLXQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12(22)20-10-13-6-8-15(9-7-13)21(25(2,23)24)11-14-4-3-5-16(18)17(14)19/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide?
N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide has a molecular weight of 401.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 16660955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).