2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

C21H21N3O3S — CID 1139709

IUPAC2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2C)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-9-11-19(12-10-16)28(26,27)24(20-8-4-3-6-17(20)2)15-21(25)23-18-7-5-13-22-14-18/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyHIIZOMRMUDOERZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1139709) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID1139709
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2C)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-9-11-19(12-10-16)28(26,27)24(20-8-4-3-6-17(20)2)15-21(25)23-18-7-5-13-22-14-18/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyHIIZOMRMUDOERZ-UHFFFAOYSA-N
XLogP3.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (CID 1139709) is 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2C)cc1.
What is the InChIKey of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is HIIZOMRMUDOERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-9-11-19(12-10-16)28(26,27)24(20-8-4-3-6-17(20)2)15-21(25)23-18-7-5-13-22-14-18/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 395.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1139709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).