2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C15H17N3O3S — CID 112993044

IUPAC2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccn1
InChIInChI=1S/C15H17N3O3S/c1-12-6-2-3-8-14(12)22(20,21)18-11-15(19)17-10-13-7-4-5-9-16-13/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyKZPSSOXSQPMDCB-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.98
Rot. Bonds6

About 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 112993044) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID112993044
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccn1
InChIInChI=1S/C15H17N3O3S/c1-12-6-2-3-8-14(12)22(20,21)18-11-15(19)17-10-13-7-4-5-9-16-13/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyKZPSSOXSQPMDCB-UHFFFAOYSA-N
XLogP0.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993027
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999251
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994846
2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999310
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 112993044) is 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccccc1S(=O)(=O)NCC(=O)NCc1ccccn1.
What is the InChIKey of 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KZPSSOXSQPMDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-12-6-2-3-8-14(12)22(20,21)18-11-15(19)17-10-13-7-4-5-9-16-13/h2-9,18H,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 112993044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).