3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide

C21H20N6O3S — CID 55720222

IUPAC3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCc1cccnc1-n1cncn1
InChIInChI=1S/C21H20N6O3S/c28-20(24-13-18-6-3-10-23-21(18)27-15-22-14-25-27)9-11-26-31(29,30)19-8-7-16-4-1-2-5-17(16)12-19/h1-8,10,12,14-15,26H,9,11,13H2,(H,24,28)
InChIKeyQKAILAXUQHEMBT-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.80
Rot. Bonds8

About 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide

3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 55720222) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID55720222
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCc1cccnc1-n1cncn1
InChIInChI=1S/C21H20N6O3S/c28-20(24-13-18-6-3-10-23-21(18)27-15-22-14-25-27)9-11-26-31(29,30)19-8-7-16-4-1-2-5-17(16)12-19/h1-8,10,12,14-15,26H,9,11,13H2,(H,24,28)
InChIKeyQKAILAXUQHEMBT-UHFFFAOYSA-N
XLogP1.80
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720237
3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720357
3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55647229
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55638591
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
N-[2-(2-methylphenyl)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 17486148
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 55720204
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide (CID 55720222) is 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCc1cccnc1-n1cncn1.
What is the InChIKey of 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is QKAILAXUQHEMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c28-20(24-13-18-6-3-10-23-21(18)27-15-22-14-25-27)9-11-26-31(29,30)19-8-7-16-4-1-2-5-17(16)12-19/h1-8,10,12,14-15,26H,9,11,13H2,(H,24,28).
What are the key properties of 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 436.50 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55720222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).