(2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

C17H16N4O2S2 — CID 9361109

IUPAC(2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3cccs3)n2)cc1
InChIInChI=1S/C17H16N4O2S2/c1-10(22)12-5-7-13(8-6-12)18-16(23)11(2)25-17-19-15(20-21-17)14-4-3-9-24-14/h3-9,11H,1-2H3,(H,18,23)(H,19,20,21)/t11-/m1/s1
InChIKeyQKTXQPSAVKFQOH-LLVKDONJSA-N
MW372.48 g/mol
LogP3.86
Rot. Bonds6

About (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 9361109) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID9361109
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name(2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3cccs3)n2)cc1
InChIInChI=1S/C17H16N4O2S2/c1-10(22)12-5-7-13(8-6-12)18-16(23)11(2)25-17-19-15(20-21-17)14-4-3-9-24-14/h3-9,11H,1-2H3,(H,18,23)(H,19,20,21)/t11-/m1/s1
InChIKeyQKTXQPSAVKFQOH-LLVKDONJSA-N
XLogP3.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide with MolForge

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Related Compounds

4-[[(2R)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide
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(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
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N-[4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 9361109) is (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3cccs3)n2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is QKTXQPSAVKFQOH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-10(22)12-5-7-13(8-6-12)18-16(23)11(2)25-17-19-15(20-21-17)14-4-3-9-24-14/h3-9,11H,1-2H3,(H,18,23)(H,19,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 372.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 9361109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).