2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C19H20N6O3S — CID 91638913

IUPAC2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21)c1nnc2ccccn12
InChIInChI=1S/C19H20N6O3S/c1-13(19-22-21-17-8-3-4-10-25(17)19)20-18(26)12-24-11-9-14-15(23-29(2,27)28)6-5-7-16(14)24/h3-11,13,23H,12H2,1-2H3,(H,20,26)/t13-/m0/s1
InChIKeyANVFMKHLOOLKPM-ZDUSSCGKSA-N
MW412.48 g/mol
LogP1.93
Rot. Bonds6

About 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 91638913) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID91638913
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21)c1nnc2ccccn12
InChIInChI=1S/C19H20N6O3S/c1-13(19-22-21-17-8-3-4-10-25(17)19)20-18(26)12-24-11-9-14-15(23-29(2,27)28)6-5-7-16(14)24/h3-11,13,23H,12H2,1-2H3,(H,20,26)/t13-/m0/s1
InChIKeyANVFMKHLOOLKPM-ZDUSSCGKSA-N
XLogP1.93
TPSA110.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 97267128
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide
CID 97264554
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 86206980
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(4-nitroindol-1-yl)acetamide
CID 71827896
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide
CID 43703569
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 91638913) is 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is C[C@H](NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21)c1nnc2ccccn12.
What is the InChIKey of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is ANVFMKHLOOLKPM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-13(19-22-21-17-8-3-4-10-25(17)19)20-18(26)12-24-11-9-14-15(23-29(2,27)28)6-5-7-16(14)24/h3-11,13,23H,12H2,1-2H3,(H,20,26)/t13-/m0/s1.
What are the key properties of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 412.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 91638913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).