5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

C19H21N5O3S — CID 24654863

IUPAC5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C19H21N5O3S/c1-13-5-8-15(28(26,27)23-14-6-7-14)12-16(13)19(25)20-10-9-18-22-21-17-4-2-3-11-24(17)18/h2-5,8,11-12,14,23H,6-7,9-10H2,1H3,(H,20,25)
InChIKeyNBCAATHLVONEPU-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.45
Rot. Bonds7

About 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 24654863) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID24654863
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C19H21N5O3S/c1-13-5-8-15(28(26,27)23-14-6-7-14)12-16(13)19(25)20-10-9-18-22-21-17-4-2-3-11-24(17)18/h2-5,8,11-12,14,23H,6-7,9-10H2,1H3,(H,20,25)
InChIKeyNBCAATHLVONEPU-UHFFFAOYSA-N
XLogP1.45
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 42279085
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27840808
5-(cyclopropylsulfamoyl)-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-methylbenzamide
CID 56562296
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-thiophen-3-ylethyl)benzamide
CID 46413675
5-(cyclopropylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 46679738
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
1-(3,4-dimethylphenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 39643764
2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134014260

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 24654863) is 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCc1nnc2ccccn12.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is NBCAATHLVONEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-13-5-8-15(28(26,27)23-14-6-7-14)12-16(13)19(25)20-10-9-18-22-21-17-4-2-3-11-24(17)18/h2-5,8,11-12,14,23H,6-7,9-10H2,1H3,(H,20,25).
What are the key properties of 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 24654863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).