N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide

C16H19N3O3S — CID 126799110

IUPACN-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)NC(c1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C16H19N3O3S/c1-12-6-8-13(9-7-12)16(14-5-3-4-10-18-14)19-15(20)11-23(21,22)17-2/h3-10,16-17H,11H2,1-2H3,(H,19,20)
InChIKeyIMDAETQIWNCQFO-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.14
Rot. Bonds6

About N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide

N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide (PubChem CID 126799110) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
PubChem CID126799110
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)NC(c1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C16H19N3O3S/c1-12-6-8-13(9-7-12)16(14-5-3-4-10-18-14)19-15(20)11-23(21,22)17-2/h3-10,16-17H,11H2,1-2H3,(H,19,20)
InChIKeyIMDAETQIWNCQFO-UHFFFAOYSA-N
XLogP1.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125139659
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
4-[[(4-methylphenyl)-pyridin-2-ylmethyl]carbamoylamino]butanoic acid
CID 122012499
N-[(4-methylphenyl)-phenylmethyl]-2-propan-2-ylsulfonylacetamide
CID 87023948
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140349
(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140347
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25408467
4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 145107639
3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide
CID 125140399

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide (CID 126799110) is N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)NC(c1ccc(C)cc1)c1ccccn1.
What is the InChIKey of N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide?
The InChIKey is IMDAETQIWNCQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-6-8-13(9-7-12)16(14-5-3-4-10-18-14)19-15(20)11-23(21,22)17-2/h3-10,16-17H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide?
N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 126799110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).