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

C18H18N4OS — CID 856227

IUPACN-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C18H18N4OS/c1-2-13-8-6-7-11-15(13)19-16(23)12-24-18-20-17(21-22-18)14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyZUBSMEHIMFHFKO-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.76
Rot. Bonds6

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

N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 856227) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID856227
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C18H18N4OS/c1-2-13-8-6-7-11-15(13)19-16(23)12-24-18-20-17(21-22-18)14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyZUBSMEHIMFHFKO-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 856227) is N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZUBSMEHIMFHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-13-8-6-7-11-15(13)19-16(23)12-24-18-20-17(21-22-18)14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 338.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 856227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).