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

C15H13ClN4O3S — CID 2814819

IUPACN-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(=O)n1Cc1ccco1)Nc1ccccc1Cl
InChIInChI=1S/C15H13ClN4O3S/c16-11-5-1-2-6-12(11)17-13(21)9-24-15-19-18-14(22)20(15)8-10-4-3-7-23-10/h1-7H,8-9H2,(H,17,21)(H,18,22)
InChIKeyPQUSDFOCLLVVCM-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.60
Rot. Bonds6

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

N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2814819) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2814819
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC NameN-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(=O)n1Cc1ccco1)Nc1ccccc1Cl
InChIInChI=1S/C15H13ClN4O3S/c16-11-5-1-2-6-12(11)17-13(21)9-24-15-19-18-14(22)20(15)8-10-4-3-7-23-10/h1-7H,8-9H2,(H,17,21)(H,18,22)
InChIKeyPQUSDFOCLLVVCM-UHFFFAOYSA-N
XLogP2.60
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2814819) is N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is O=C(CSc1n[nH]c(=O)n1Cc1ccco1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is PQUSDFOCLLVVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c16-11-5-1-2-6-12(11)17-13(21)9-24-15-19-18-14(22)20(15)8-10-4-3-7-23-10/h1-7H,8-9H2,(H,17,21)(H,18,22).
What are the key properties of N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 364.81 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2814819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).