N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide

C17H22N4O3S — CID 113151704

IUPACN-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(C)c1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-20(2)16-8-6-15(7-9-16)19-17(22)13-21(25(3,23)24)12-14-5-4-10-18-11-14/h4-11H,12-13H2,1-3H3,(H,19,22)
InChIKeyYTXOQXWEGPTAFT-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.55
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide

N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 113151704) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID113151704
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCN(C)c1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-20(2)16-8-6-15(7-9-16)19-17(22)13-21(25(3,23)24)12-14-5-4-10-18-11-14/h4-11H,12-13H2,1-3H3,(H,19,22)
InChIKeyYTXOQXWEGPTAFT-UHFFFAOYSA-N
XLogP1.55
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]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-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151663
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151652
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113120489
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 2230213
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (CID 113151704) is N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is CN(C)c1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is YTXOQXWEGPTAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-20(2)16-8-6-15(7-9-16)19-17(22)13-21(25(3,23)24)12-14-5-4-10-18-11-14/h4-11H,12-13H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 362.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).