N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide

C17H21N3O3S — CID 113151497

IUPACN-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCc1cc(C)cc(NC(=O)CN(Cc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-13-8-14(2)10-16(9-13)19-17(21)12-20(24(3,22)23)11-15-6-4-5-7-18-15/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyWJEQXRLMPNKNJA-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.10
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide

N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 113151497) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
PubChem CID113151497
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCc1cc(C)cc(NC(=O)CN(Cc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-13-8-14(2)10-16(9-13)19-17(21)12-20(24(3,22)23)11-15-6-4-5-7-18-15/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyWJEQXRLMPNKNJA-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-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151548
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113151534
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113151528
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
CID 113151480
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide (CID 113151497) is N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide is Cc1cc(C)cc(NC(=O)CN(Cc2ccccn2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is WJEQXRLMPNKNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-8-14(2)10-16(9-13)19-17(21)12-20(24(3,22)23)11-15-6-4-5-7-18-15/h4-10H,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-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-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).