N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide

C22H21N5O2S — CID 46320815

IUPACN-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1Sc1c(C)c(C)nc2ncnn12
InChIInChI=1S/C22H21N5O2S/c1-4-29-18-11-7-5-9-16(18)20(28)26-17-10-6-8-12-19(17)30-21-14(2)15(3)25-22-23-13-24-27(21)22/h5-13H,4H2,1-3H3,(H,26,28)
InChIKeyOAMWVOYFGJEUDC-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.54
Rot. Bonds6

About N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide

N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide (PubChem CID 46320815) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide
PubChem CID46320815
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1Sc1c(C)c(C)nc2ncnn12
InChIInChI=1S/C22H21N5O2S/c1-4-29-18-11-7-5-9-16(18)20(28)26-17-10-6-8-12-19(17)30-21-14(2)15(3)25-22-23-13-24-27(21)22/h5-13H,4H2,1-3H3,(H,26,28)
InChIKeyOAMWVOYFGJEUDC-UHFFFAOYSA-N
XLogP4.54
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide with MolForge

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Related Compounds

2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46320887
N-[2-[(5,6-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-methylbenzamide
CID 50778543
2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46379996
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
2-ethoxy-N-[2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]phenyl]benzamide
CID 46268426
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
2-[(2-ethoxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 90010791
N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
CID 114304946
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide (CID 46320815) is N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccccc1Sc1c(C)c(C)nc2ncnn12.
What is the InChIKey of N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide?
The InChIKey is OAMWVOYFGJEUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-4-29-18-11-7-5-9-16(18)20(28)26-17-10-6-8-12-19(17)30-21-14(2)15(3)25-22-23-13-24-27(21)22/h5-13H,4H2,1-3H3,(H,26,28).
What are the key properties of N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide?
N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide has a molecular weight of 419.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 46320815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).