2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide

C19H19N5O2S — CID 90366681

IUPAC2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc3ccn(C)c23)nnc1-c1ccco1
InChIInChI=1S/C19H19N5O2S/c1-3-24-18(15-8-5-11-26-15)21-22-19(24)27-12-16(25)20-14-7-4-6-13-9-10-23(2)17(13)14/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKeyDRTHFRLSAHTICQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.78
Rot. Bonds6

About 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide

2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide (PubChem CID 90366681) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide
PubChem CID90366681
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc3ccn(C)c23)nnc1-c1ccco1
InChIInChI=1S/C19H19N5O2S/c1-3-24-18(15-8-5-11-26-15)21-22-19(24)27-12-16(25)20-14-7-4-6-13-9-10-23(2)17(13)14/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKeyDRTHFRLSAHTICQ-UHFFFAOYSA-N
XLogP3.78
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide with MolForge

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Related Compounds

2-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 17378069
N-(3-chloro-2-methylphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1081734
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3149091
N-(4-acetamidophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1071854
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
CID 71006391
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 33370687
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 17424886
N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 166185547
N-(4-acetylphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1155205
2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 2024115
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46525734
N-[4-(dimethylamino)phenyl]-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1081731

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide?
The IUPAC name of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide (CID 90366681) is 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide?
The canonical SMILES for 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide is CCn1c(SCC(=O)Nc2cccc3ccn(C)c23)nnc1-c1ccco1.
What is the InChIKey of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide?
The InChIKey is DRTHFRLSAHTICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-3-24-18(15-8-5-11-26-15)21-22-19(24)27-12-16(25)20-14-7-4-6-13-9-10-23(2)17(13)14/h4-11H,3,12H2,1-2H3,(H,20,25).
What are the key properties of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide?
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylindol-7-yl)acetamide is sourced from PubChem (CID 90366681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).