3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C19H23N5O3S — CID 134030807

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2nnc3ccccn23)cc1C
InChIInChI=1S/C19H23N5O3S/c1-13-7-8-16(12-14(13)2)28(26,27)20-10-9-18(25)21-15(3)19-23-22-17-6-4-5-11-24(17)19/h4-8,11-12,15,20H,9-10H2,1-3H3,(H,21,25)
InChIKeyLUQSGZGXRNAGQI-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.89
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 134030807) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID134030807
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2nnc3ccccn23)cc1C
InChIInChI=1S/C19H23N5O3S/c1-13-7-8-16(12-14(13)2)28(26,27)20-10-9-18(25)21-15(3)19-23-22-17-6-4-5-11-24(17)19/h4-8,11-12,15,20H,9-10H2,1-3H3,(H,21,25)
InChIKeyLUQSGZGXRNAGQI-UHFFFAOYSA-N
XLogP1.89
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide with MolForge

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Related Compounds

4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
3-[(4-methylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9021108
6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide
CID 43703569
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51278349
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 134030650
4-(3-methylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247748
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1R)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]propanamide
CID 97070859

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 134030807) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2nnc3ccccn23)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is LUQSGZGXRNAGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-13-7-8-16(12-14(13)2)28(26,27)20-10-9-18(25)21-15(3)19-23-22-17-6-4-5-11-24(17)19/h4-8,11-12,15,20H,9-10H2,1-3H3,(H,21,25).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 401.49 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 134030807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).