3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C18H20N6O3S — CID 55843523

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c(C)c1
InChIInChI=1S/C18H20N6O3S/c1-12-6-7-15(13(2)11-12)28(26,27)20-10-8-16(25)21-18-22-17(23-24-18)14-5-3-4-9-19-14/h3-7,9,11,20H,8,10H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyLNLWQZOSTXFVMS-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.79
Rot. Bonds7

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 55843523) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID55843523
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c(C)c1
InChIInChI=1S/C18H20N6O3S/c1-12-6-7-15(13(2)11-12)28(26,27)20-10-8-16(25)21-18-22-17(23-24-18)14-5-3-4-9-19-14/h3-7,9,11,20H,8,10H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyLNLWQZOSTXFVMS-UHFFFAOYSA-N
XLogP1.79
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17443745
3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087375
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924823
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
ethane;6-methyl-1,2,3,4-tetrahydronaphthalene;molecular hydrogen;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide
CID 142506685
3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 55844424
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47037766
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 25356175

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 55843523) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is LNLWQZOSTXFVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-12-6-7-15(13(2)11-12)28(26,27)20-10-8-16(25)21-18-22-17(23-24-18)14-5-3-4-9-19-14/h3-7,9,11,20H,8,10H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 400.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 55843523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).