N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H18N4O3S — CID 2996001

IUPACN-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1n[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C18H18N4O3S/c1-2-25-15-11-7-6-10-14(15)19-16(23)12-26-18-21-20-17(24)22(18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,23)(H,20,24)
InChIKeyHFYQXVXNIFCCPY-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.69
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2996001) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2996001
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1n[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C18H18N4O3S/c1-2-25-15-11-7-6-10-14(15)19-16(23)12-26-18-21-20-17(24)22(18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,23)(H,20,24)
InChIKeyHFYQXVXNIFCCPY-UHFFFAOYSA-N
XLogP2.69
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2996001) is N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1n[nH]c(=O)n1-c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HFYQXVXNIFCCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-2-25-15-11-7-6-10-14(15)19-16(23)12-26-18-21-20-17(24)22(18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2996001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).