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

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Related Compounds

4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
2,4,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 802956
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
Sulfonamide deriv., 7i
CID 44520905
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(2,5-dimethylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155564947
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
5-Isopropyl-2-methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 747990
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793

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).