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

C18H18N4O3S — CID 2572849

IUPACN-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nncn2-c2ccccc2)c(OC)c1
InChIInChI=1S/C18H18N4O3S/c1-24-14-8-9-15(16(10-14)25-2)20-17(23)11-26-18-21-19-12-22(18)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyLYMOSGUDGAQGAE-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.02
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2572849) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2572849
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nncn2-c2ccccc2)c(OC)c1
InChIInChI=1S/C18H18N4O3S/c1-24-14-8-9-15(16(10-14)25-2)20-17(23)11-26-18-21-19-12-22(18)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyLYMOSGUDGAQGAE-UHFFFAOYSA-N
XLogP3.02
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2572849) is N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nncn2-c2ccccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is LYMOSGUDGAQGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-14-8-9-15(16(10-14)25-2)20-17(23)11-26-18-21-19-12-22(18)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2572849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).