N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide

C20H23ClN2O4S — CID 8897183

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C20H23ClN2O4S/c1-3-23(13-19(24)22-12-15-7-9-18(21)10-8-15)20(25)17-6-4-5-16(11-17)14-28(2,26)27/h4-11H,3,12-14H2,1-2H3,(H,22,24)
InChIKeyBDSXPYVPMASTKX-UHFFFAOYSA-N
MW422.93 g/mol
LogP2.66
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide (PubChem CID 8897183) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
PubChem CID8897183
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C20H23ClN2O4S/c1-3-23(13-19(24)22-12-15-7-9-18(21)10-8-15)20(25)17-6-4-5-16(11-17)14-28(2,26)27/h4-11H,3,12-14H2,1-2H3,(H,22,24)
InChIKeyBDSXPYVPMASTKX-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 17426138
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
CID 17410522
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 17478307
3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide
CID 68826106
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836975
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 46437314
N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78811486
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55792417

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide (CID 8897183) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide?
The InChIKey is BDSXPYVPMASTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-3-23(13-19(24)22-12-15-7-9-18(21)10-8-15)20(25)17-6-4-5-16(11-17)14-28(2,26)27/h4-11H,3,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide has a molecular weight of 422.93 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 8897183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).