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

C23H23N5O2S — CID 46379996

IUPAC2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
SMILESCCCc1cc(Sc2ccc(NC(=O)c3ccccc3OCC)cc2)n2ncnc2n1
InChIInChI=1S/C23H23N5O2S/c1-3-7-17-14-21(28-23(27-17)24-15-25-28)31-18-12-10-16(11-13-18)26-22(29)19-8-5-6-9-20(19)30-4-2/h5-6,8-15H,3-4,7H2,1-2H3,(H,26,29)
InChIKeyRFWTUMICLKFVLU-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.88
Rot. Bonds8

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

2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide (PubChem CID 46379996) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
PubChem CID46379996
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
SMILESCCCc1cc(Sc2ccc(NC(=O)c3ccccc3OCC)cc2)n2ncnc2n1
InChIInChI=1S/C23H23N5O2S/c1-3-7-17-14-21(28-23(27-17)24-15-25-28)31-18-12-10-16(11-13-18)26-22(29)19-8-5-6-9-20(19)30-4-2/h5-6,8-15H,3-4,7H2,1-2H3,(H,26,29)
InChIKeyRFWTUMICLKFVLU-UHFFFAOYSA-N
XLogP4.88
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46249747
1-(3-fluorophenyl)-3-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]urea
CID 50823221
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-[2-[(5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide
CID 46320887
ethyl 4-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]carbamoylamino]benzoate
CID 46380063
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-methoxyphenyl)benzamide
CID 5019237
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
2-ethoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]phenyl]benzamide
CID 46268548
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
1-(2-fluorophenyl)-3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]urea
CID 46380069

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide (CID 46379996) is 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide is CCCc1cc(Sc2ccc(NC(=O)c3ccccc3OCC)cc2)n2ncnc2n1.
What is the InChIKey of 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide?
The InChIKey is RFWTUMICLKFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-3-7-17-14-21(28-23(27-17)24-15-25-28)31-18-12-10-16(11-13-18)26-22(29)19-8-5-6-9-20(19)30-4-2/h5-6,8-15H,3-4,7H2,1-2H3,(H,26,29).
What are the key properties of 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide?
2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide has a molecular weight of 433.54 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzamide is sourced from PubChem (CID 46379996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).