4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide

C12H18N2O3S — CID 119501364

IUPAC4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
SMILESCNCCNC(=O)c1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9-4-5-10(8-11(9)18(3,16)17)12(15)14-7-6-13-2/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyNQKNWMWXKPOSOG-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.35
Rot. Bonds5

About 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide

4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide (PubChem CID 119501364) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
PubChem CID119501364
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
SMILESCNCCNC(=O)c1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-9-4-5-10(8-11(9)18(3,16)17)12(15)14-7-6-13-2/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyNQKNWMWXKPOSOG-UHFFFAOYSA-N
XLogP0.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide 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-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
CID 46488801
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
N-(2-cyclopentylsulfanylethyl)-4-methyl-3-methylsulfonylbenzamide
CID 47047129
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
N-[4-(1H-imidazol-2-yl)butyl]-4-methyl-3-methylsulfonylbenzamide
CID 138047388
4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-methylsulfonylbenzamide
CID 32969715
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-methylsulfonylbenzamide
CID 51117630
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 47047969

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide (CID 119501364) is 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide is CNCCNC(=O)c1ccc(C)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide?
The InChIKey is NQKNWMWXKPOSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-4-5-10(8-11(9)18(3,16)17)12(15)14-7-6-13-2/h4-5,8,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide?
4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 119501364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).