N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide

C14H22N2O4S — CID 113065954

IUPACN-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
SMILESCOCCN(CCNC(=O)c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12-5-4-6-13(11-12)14(17)15-7-8-16(9-10-20-2)21(3,18)19/h4-6,11H,7-10H2,1-3H3,(H,15,17)
InChIKeyRQPMPYXONMRELT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.63
Rot. Bonds8

About N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide

N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide (PubChem CID 113065954) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
PubChem CID113065954
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
SMILESCOCCN(CCNC(=O)c1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12-5-4-6-13(11-12)14(17)15-7-8-16(9-10-20-2)21(3,18)19/h4-6,11H,7-10H2,1-3H3,(H,15,17)
InChIKeyRQPMPYXONMRELT-UHFFFAOYSA-N
XLogP0.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide 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

3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066064
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065961
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]-3-methylbenzamide
CID 113069626
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide (CID 113065954) is N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide is COCCN(CCNC(=O)c1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide?
The InChIKey is RQPMPYXONMRELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-12-5-4-6-13(11-12)14(17)15-7-8-16(9-10-20-2)21(3,18)19/h4-6,11H,7-10H2,1-3H3,(H,15,17).
What are the key properties of N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide?
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 113065954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).