2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide

C15H17N5OS — CID 90653269

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCCSc1cn[nH]n1
InChIInChI=1S/C15H17N5OS/c1-10-12(11-4-2-3-5-13(11)18-10)8-14(21)16-6-7-22-15-9-17-20-19-15/h2-5,9,18H,6-8H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyNGQPYQBWIAXKBB-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.05
Rot. Bonds6

About 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide (PubChem CID 90653269) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide
PubChem CID90653269
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCCSc1cn[nH]n1
InChIInChI=1S/C15H17N5OS/c1-10-12(11-4-2-3-5-13(11)18-10)8-14(21)16-6-7-22-15-9-17-20-19-15/h2-5,9,18H,6-8H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyNGQPYQBWIAXKBB-UHFFFAOYSA-N
XLogP2.05
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
2-methoxy-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156487
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]propanamide
CID 91771051
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 115680666
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31956483

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide (CID 90653269) is 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCCSc1cn[nH]n1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide?
The InChIKey is NGQPYQBWIAXKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10-12(11-4-2-3-5-13(11)18-10)8-14(21)16-6-7-22-15-9-17-20-19-15/h2-5,9,18H,6-8H2,1H3,(H,16,21)(H,17,19,20).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 90653269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).