(2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

C15H20N4O2S — CID 42121877

IUPAC(2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(CC)n2)cc1
InChIInChI=1S/C15H20N4O2S/c1-4-13-17-15(19-18-13)22-10(3)14(20)16-11-6-8-12(9-7-11)21-5-2/h6-10H,4-5H2,1-3H3,(H,16,20)(H,17,18,19)/t10-/m0/s1
InChIKeyOMRGSLIZTIJFKZ-JTQLQIEISA-N
MW320.42 g/mol
LogP2.89
Rot. Bonds7

About (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 42121877) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID42121877
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(CC)n2)cc1
InChIInChI=1S/C15H20N4O2S/c1-4-13-17-15(19-18-13)22-10(3)14(20)16-11-6-8-12(9-7-11)21-5-2/h6-10H,4-5H2,1-3H3,(H,16,20)(H,17,18,19)/t10-/m0/s1
InChIKeyOMRGSLIZTIJFKZ-JTQLQIEISA-N
XLogP2.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-chloro-4-cyanophenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 42121877) is (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is CCOc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(CC)n2)cc1.
What is the InChIKey of (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is OMRGSLIZTIJFKZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-13-17-15(19-18-13)22-10(3)14(20)16-11-6-8-12(9-7-11)21-5-2/h6-10H,4-5H2,1-3H3,(H,16,20)(H,17,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 320.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 42121877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).