2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide

C15H17N3O3S — CID 925262

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-12-5-7-14(8-6-12)22(20,21)18(2)11-15(19)17-13-4-3-9-16-10-13/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyHLDZYJMFTYHPIB-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.65
Rot. Bonds5

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide (PubChem CID 925262) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide
PubChem CID925262
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-12-5-7-14(8-6-12)22(20,21)18(2)11-15(19)17-13-4-3-9-16-10-13/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyHLDZYJMFTYHPIB-UHFFFAOYSA-N
XLogP1.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide (CID 925262) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide?
The InChIKey is HLDZYJMFTYHPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-12-5-7-14(8-6-12)22(20,21)18(2)11-15(19)17-13-4-3-9-16-10-13/h3-10H,11H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylacetamide has a molecular weight of 319.39 g/mol, XLogP of 1.65, 5 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-3-ylacetamide is sourced from PubChem (CID 925262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).