2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C13H17N5O3S — CID 112993039

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccccn1
InChIInChI=1S/C13H17N5O3S/c1-9-13(10(2)18-17-9)22(20,21)16-8-12(19)15-7-11-5-3-4-6-14-11/h3-6,16H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySWLUUIFVBHWXEE-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.02
Rot. Bonds6

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 112993039) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID112993039
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccccn1
InChIInChI=1S/C13H17N5O3S/c1-9-13(10(2)18-17-9)22(20,21)16-8-12(19)15-7-11-5-3-4-6-14-11/h3-6,16H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySWLUUIFVBHWXEE-UHFFFAOYSA-N
XLogP0.02
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993044
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999052
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
5-methyl-3-(methylaminomethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 107649220
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993027
3,5-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 112994673
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 113001785

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 112993039) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccccn1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is SWLUUIFVBHWXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-9-13(10(2)18-17-9)22(20,21)16-8-12(19)15-7-11-5-3-4-6-14-11/h3-6,16H,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 323.38 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 112993039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).