N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide

C18H20N2O4S — CID 113071023

IUPACN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCC(=O)c1ccc(N(CCNC(=O)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-14(21)15-8-10-17(11-9-15)20(25(2,23)24)13-12-19-18(22)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyWWDLMKFBEKJTTL-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide

N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113071023) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113071023
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
SMILESCC(=O)c1ccc(N(CCNC(=O)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-14(21)15-8-10-17(11-9-15)20(25(2,23)24)13-12-19-18(22)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyWWDLMKFBEKJTTL-UHFFFAOYSA-N
XLogP2.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113071035
N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide
CID 113072304
3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
CID 113068437
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113071036
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]-3-methylbenzamide
CID 113069626
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068914
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068979
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide (CID 113071023) is N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide is CC(=O)c1ccc(N(CCNC(=O)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is WWDLMKFBEKJTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14(21)15-8-10-17(11-9-15)20(25(2,23)24)13-12-19-18(22)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide?
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113071023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).