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

C19H21N5O2S — CID 71006391

IUPAC2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc3c2N(C)CC3)nnc1-c1ccco1
InChIInChI=1S/C19H21N5O2S/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/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,25)
InChIKeyVFQPXOKXFSDXLY-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.28
Rot. Bonds6

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

2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide (PubChem CID 71006391) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
PubChem CID71006391
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc3c2N(C)CC3)nnc1-c1ccco1
InChIInChI=1S/C19H21N5O2S/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/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,25)
InChIKeyVFQPXOKXFSDXLY-UHFFFAOYSA-N
XLogP3.28
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide
CID 71006547
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-(1-methylindol-7-yl)acetamide
CID 90366681
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-(1,2-oxazol-3-yl)acetamide
CID 17424886
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 4820801
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-[[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-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46525734

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-methyl-2,3-dihydroindol-7-yl)acetamide?
The IUPAC name of 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) is 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-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-methyl-2,3-dihydroindol-7-yl)acetamide?
The canonical SMILES for 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide is CCn1c(SCC(=O)Nc2cccc3c2N(C)CC3)nnc1-c1ccco1.
What is the InChIKey of 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide?
The InChIKey is VFQPXOKXFSDXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/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/h4-8,11H,3,9-10,12H2,1-2H3,(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-methyl-2,3-dihydroindol-7-yl)acetamide?
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-2,3-dihydroindol-7-yl)acetamide has a molecular weight of 383.48 g/mol, XLogP of 3.28, 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-methyl-2,3-dihydroindol-7-yl)acetamide is sourced from PubChem (CID 71006391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).