N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide

C16H27N3O3S — CID 113066272

IUPACN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCN(CCN(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H27N3O3S/c1-14-5-7-15(8-6-14)13-16(20)17-9-10-19(23(4,21)22)12-11-18(2)3/h5-8H,9-13H2,1-4H3,(H,17,20)
InChIKeyWHNDEKJVDFCIAD-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.48
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide

N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 113066272) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
PubChem CID113066272
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCN(CCN(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H27N3O3S/c1-14-5-7-15(8-6-14)13-16(20)17-9-10-19(23(4,21)22)12-11-18(2)3/h5-8H,9-13H2,1-4H3,(H,17,20)
InChIKeyWHNDEKJVDFCIAD-UHFFFAOYSA-N
XLogP0.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide 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

2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
CID 113066757
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066750
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
CID 113066857

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide (CID 113066272) is N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCN(CCN(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is WHNDEKJVDFCIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14-5-7-15(8-6-14)13-16(20)17-9-10-19(23(4,21)22)12-11-18(2)3/h5-8H,9-13H2,1-4H3,(H,17,20).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide?
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113066272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).