2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone

C24H24N4OS — CID 2394833

IUPAC2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H24N4OS/c29-22(20-15-25-21-14-8-7-13-19(20)21)16-30-24-26-23(17-9-3-1-4-10-17)28(27-24)18-11-5-2-6-12-18/h2,5-8,11-15,17,25H,1,3-4,9-10,16H2
InChIKeyGXDRRCDLJGMICZ-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.77
Rot. Bonds6

About 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone

2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone (PubChem CID 2394833) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
PubChem CID2394833
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H24N4OS/c29-22(20-15-25-21-14-8-7-13-19(20)21)16-30-24-26-23(17-9-3-1-4-10-17)28(27-24)18-11-5-2-6-12-18/h2,5-8,11-15,17,25H,1,3-4,9-10,16H2
InChIKeyGXDRRCDLJGMICZ-UHFFFAOYSA-N
XLogP5.77
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
CID 9403479
1-(1H-indol-3-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2547336
2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide
CID 9451445
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynylacetamide
CID 8806077
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
4-hydroxy-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 723051
ethyl N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate
CID 7420493
1-(1H-indol-3-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7897798
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
CID 17393627
N-(5-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7996181
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
CID 7262727
(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 82299218

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone (CID 2394833) is 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone is O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is GXDRRCDLJGMICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-22(20-15-25-21-14-8-7-13-19(20)21)16-30-24-26-23(17-9-3-1-4-10-17)28(27-24)18-11-5-2-6-12-18/h2,5-8,11-15,17,25H,1,3-4,9-10,16H2.
What are the key properties of 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone?
2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 416.55 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 2394833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).