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

C16H19N3O3S — CID 770945

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-3-5-15(6-4-13)23(21,22)19(2)12-16(20)18-11-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyFISXMEVJSCXDRN-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.33
Rot. Bonds6

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

2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 770945) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID770945
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-3-5-15(6-4-13)23(21,22)19(2)12-16(20)18-11-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyFISXMEVJSCXDRN-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

Torasemide
CID 41781
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
CID 466102
N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
3-(((4-Methylphenyl)sulfonyl)amino)propyl pyridin-4-ylcarbamate
CID 3236724
4-(2-(5-Methylpyrazine-2-carboxamido)ethyl)benzenesulfonamide
CID 9883549
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 770945) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is FISXMEVJSCXDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13-3-5-15(6-4-13)23(21,22)19(2)12-16(20)18-11-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)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 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 770945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).