3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide

C20H22N4O2S — CID 55493215

IUPAC3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(Sc2nncn2C)cc1
InChIInChI=1S/C20H22N4O2S/c1-3-26-18-7-5-4-6-15(18)8-13-19(25)22-16-9-11-17(12-10-16)27-20-23-21-14-24(20)2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,25)
InChIKeyGCEAAIQNPQLXKF-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.94
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide

3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide (PubChem CID 55493215) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
PubChem CID55493215
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(Sc2nncn2C)cc1
InChIInChI=1S/C20H22N4O2S/c1-3-26-18-7-5-4-6-15(18)8-13-19(25)22-16-9-11-17(12-10-16)27-20-23-21-14-24(20)2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,25)
InChIKeyGCEAAIQNPQLXKF-UHFFFAOYSA-N
XLogP3.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
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3-(2-ethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
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CID 166191233
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
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N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
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3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556229
2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
CID 134003332
N-(3-acetamido-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32943090
2-(3-chlorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide (CID 55493215) is 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide is CCOc1ccccc1CCC(=O)Nc1ccc(Sc2nncn2C)cc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide?
The InChIKey is GCEAAIQNPQLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-26-18-7-5-4-6-15(18)8-13-19(25)22-16-9-11-17(12-10-16)27-20-23-21-14-24(20)2/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide?
3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide has a molecular weight of 382.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide is sourced from PubChem (CID 55493215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).