N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide

C16H19N3O3S — CID 170380760

IUPACN-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide
SMILESCNC(=O)CN(Cc1cccnc1)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H19N3O3S/c1-13-5-3-7-15(9-13)23(21,22)19(12-16(20)17-2)11-14-6-4-8-18-10-14/h3-10H,11-12H2,1-2H3,(H,17,20)
InChIKeyKAMMPUQMFYTHJD-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.33
Rot. Bonds6

About N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide

N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 170380760) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide
PubChem CID170380760
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide
SMILESCNC(=O)CN(Cc1cccnc1)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H19N3O3S/c1-13-5-3-7-15(9-13)23(21,22)19(12-16(20)17-2)11-14-6-4-8-18-10-14/h3-10H,11-12H2,1-2H3,(H,17,20)
InChIKeyKAMMPUQMFYTHJD-UHFFFAOYSA-N
XLogP1.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetic acid
CID 146128171
N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151652
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide
CID 1329684
3-[(3-methylphenyl)methyl-[(5-methyl-3-pyridinyl)sulfonyl]amino]propanoic acid
CID 167973521
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51343851
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
3-acetyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899
4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 19844946
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
CID 42111351
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 126073003
N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
CID 167975827

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide (CID 170380760) is N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide is CNC(=O)CN(Cc1cccnc1)S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is KAMMPUQMFYTHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13-5-3-7-15(9-13)23(21,22)19(12-16(20)17-2)11-14-6-4-8-18-10-14/h3-10H,11-12H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide?
N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 170380760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).