N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide

C17H21N3O3S — CID 113151652

IUPACN-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H21N3O3S/c1-13-6-7-16(14(2)9-13)19-17(21)12-20(24(3,22)23)11-15-5-4-8-18-10-15/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyXPDBRFXJLITVLA-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.10
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide

N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 113151652) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID113151652
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H21N3O3S/c1-13-6-7-16(14(2)9-13)19-17(21)12-20(24(3,22)23)11-15-5-4-8-18-10-15/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyXPDBRFXJLITVLA-UHFFFAOYSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708
N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151704
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
N-(4-chloro-2-methylphenyl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100572306
2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151663
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 18286925
N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide
CID 170380760
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113139998
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 112801637
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 2230213

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (CID 113151652) is N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is Cc1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is XPDBRFXJLITVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-6-7-16(14(2)9-13)19-17(21)12-20(24(3,22)23)11-15-5-4-8-18-10-15/h4-10H,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).