N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide

C19H20F3N5O4S — CID 118103832

IUPACN-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)NCCS(C)(=O)=O)cc3OCC(F)(F)F)nn2c1
InChIInChI=1S/C19H20F3N5O4S/c1-12-3-6-16-25-18(26-27(16)10-12)24-14-5-4-13(9-15(14)31-11-19(20,21)22)17(28)23-7-8-32(2,29)30/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyBNVVYPJCTLCRFT-UHFFFAOYSA-N
MW471.46 g/mol
LogP2.50
Rot. Bonds8

About N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide

N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 118103832) has the molecular formula C19H20F3N5O4S and a molecular weight of 471.46 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID118103832
Molecular FormulaC19H20F3N5O4S
Molecular Weight471.46 g/mol
Exact Mass471.12
IUPAC NameN-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)NCCS(C)(=O)=O)cc3OCC(F)(F)F)nn2c1
InChIInChI=1S/C19H20F3N5O4S/c1-12-3-6-16-25-18(26-27(16)10-12)24-14-5-4-13(9-15(14)31-11-19(20,21)22)17(28)23-7-8-32(2,29)30/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyBNVVYPJCTLCRFT-UHFFFAOYSA-N
XLogP2.50
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide (CID 118103832) is N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide is Cc1ccc2nc(Nc3ccc(C(=O)NCCS(C)(=O)=O)cc3OCC(F)(F)F)nn2c1.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is BNVVYPJCTLCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O4S/c1-12-3-6-16-25-18(26-27(16)10-12)24-14-5-4-13(9-15(14)31-11-19(20,21)22)17(28)23-7-8-32(2,29)30/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide?
N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 471.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 118103832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).