N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C18H17N5O2S — CID 2227354

IUPACN-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(SCC(=O)NCc2ccco2)nnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H17N5O2S/c1-23-17(14-10-19-15-7-3-2-6-13(14)15)21-22-18(23)26-11-16(24)20-9-12-5-4-8-25-12/h2-8,10,19H,9,11H2,1H3,(H,20,24)
InChIKeyAWQMJOHDJYEZIX-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.96
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2227354) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2227354
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(SCC(=O)NCc2ccco2)nnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H17N5O2S/c1-23-17(14-10-19-15-7-3-2-6-13(14)15)21-22-18(23)26-11-16(24)20-9-12-5-4-8-25-12/h2-8,10,19H,9,11H2,1H3,(H,20,24)
InChIKeyAWQMJOHDJYEZIX-UHFFFAOYSA-N
XLogP2.96
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2227354) is N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cn1c(SCC(=O)NCc2ccco2)nnc1-c1c[nH]c2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is AWQMJOHDJYEZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-23-17(14-10-19-15-7-3-2-6-13(14)15)21-22-18(23)26-11-16(24)20-9-12-5-4-8-25-12/h2-8,10,19H,9,11H2,1H3,(H,20,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2227354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).