2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

C17H21N3O3S — CID 4287634

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H21N3O3S/c1-12-7-8-13(2)16(10-12)24(22,23)20-14(3)17(21)19-11-15-6-4-5-9-18-15/h4-10,14,20H,11H2,1-3H3,(H,19,21)
InChIKeyHMONNBOYMSDSBD-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.68
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 4287634) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID4287634
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H21N3O3S/c1-12-7-8-13(2)16(10-12)24(22,23)20-14(3)17(21)19-11-15-6-4-5-9-18-15/h4-10,14,20H,11H2,1-3H3,(H,19,21)
InChIKeyHMONNBOYMSDSBD-UHFFFAOYSA-N
XLogP1.68
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide (CID 4287634) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccccn2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is HMONNBOYMSDSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-7-8-13(2)16(10-12)24(22,23)20-14(3)17(21)19-11-15-6-4-5-9-18-15/h4-10,14,20H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 4287634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).