2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide

C24H25N5O2S — CID 46320887

IUPAC2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
SMILESCCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccccc1OCC
InChIInChI=1S/C24H25N5O2S/c1-4-10-17-16(3)27-24-25-15-26-29(24)23(17)32-21-14-9-7-12-19(21)28-22(30)18-11-6-8-13-20(18)31-5-2/h6-9,11-15H,4-5,10H2,1-3H3,(H,28,30)
InChIKeyWCJAGVSSSVLVIA-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.19
Rot. Bonds8

About 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide

2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide (PubChem CID 46320887) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
PubChem CID46320887
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
SMILESCCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccccc1OCC
InChIInChI=1S/C24H25N5O2S/c1-4-10-17-16(3)27-24-25-15-26-29(24)23(17)32-21-14-9-7-12-19(21)28-22(30)18-11-6-8-13-20(18)31-5-2/h6-9,11-15H,4-5,10H2,1-3H3,(H,28,30)
InChIKeyWCJAGVSSSVLVIA-UHFFFAOYSA-N
XLogP5.19
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide with MolForge

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Related Compounds

N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-ethoxybenzamide
CID 46320815
2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46379996
N-[2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]thiophene-2-carboxamide
CID 46320810
2-methoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46249747
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
5-methyl-N-phenyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433942
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
CID 114304946
2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide
CID 11269925
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide (CID 46320887) is 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide is CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide?
The InChIKey is WCJAGVSSSVLVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-4-10-17-16(3)27-24-25-15-26-29(24)23(17)32-21-14-9-7-12-19(21)28-22(30)18-11-6-8-13-20(18)31-5-2/h6-9,11-15H,4-5,10H2,1-3H3,(H,28,30).
What are the key properties of 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide?
2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide is sourced from PubChem (CID 46320887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).