N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H17N5O2S — CID 17460373

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CSc3nncn3C)ccc21
InChIInChI=1S/C15H17N5O2S/c1-10(21)20-6-5-11-7-12(3-4-13(11)20)17-14(22)8-23-15-18-16-9-19(15)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,22)
InChIKeyARNGFZXLJQSDAR-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.45
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 17460373) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID17460373
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CSc3nncn3C)ccc21
InChIInChI=1S/C15H17N5O2S/c1-10(21)20-6-5-11-7-12(3-4-13(11)20)17-14(22)8-23-15-18-16-9-19(15)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,22)
InChIKeyARNGFZXLJQSDAR-UHFFFAOYSA-N
XLogP1.45
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 17460373) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(=O)N1CCc2cc(NC(=O)CSc3nncn3C)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ARNGFZXLJQSDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10(21)20-6-5-11-7-12(3-4-13(11)20)17-14(22)8-23-15-18-16-9-19(15)2/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,22).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 17460373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).