3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide

C19H26N4O4S — CID 55967955

IUPAC3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1
InChIInChI=1S/C19H26N4O4S/c1-15-6-8-16(9-7-15)28(26,27)14-10-18(24)20-11-4-13-23-19(25)22-12-3-2-5-17(22)21-23/h6-9H,2-5,10-14H2,1H3,(H,20,24)
InChIKeyRUFYOCQXHPJFCP-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.06
Rot. Bonds8

About 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide

3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide (PubChem CID 55967955) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
PubChem CID55967955
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1
InChIInChI=1S/C19H26N4O4S/c1-15-6-8-16(9-7-15)28(26,27)14-10-18(24)20-11-4-13-23-19(25)22-12-3-2-5-17(22)21-23/h6-9H,2-5,10-14H2,1H3,(H,20,24)
InChIKeyRUFYOCQXHPJFCP-UHFFFAOYSA-N
XLogP1.06
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55766803
3-(4-methoxyphenyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55766711
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55859740
4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 55960145
4-acetyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,4-diazepane-1-carboxamide
CID 96559228
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine
CID 111621788
2,6-dimethyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]quinoline-3-carboxamide
CID 55867665
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55859482
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
3-(methanesulfonamido)-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55858336
2-iodo-N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]benzamide
CID 55867409
N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 95180134

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide (CID 55967955) is 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide?
The InChIKey is RUFYOCQXHPJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-15-6-8-16(9-7-15)28(26,27)14-10-18(24)20-11-4-13-23-19(25)22-12-3-2-5-17(22)21-23/h6-9H,2-5,10-14H2,1H3,(H,20,24).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide?
3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide has a molecular weight of 406.51 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide is sourced from PubChem (CID 55967955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).