N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H15ClN4O2S — CID 2513719

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C17H15ClN4O2S/c1-22-11-19-21-17(22)25-10-16(23)20-14-9-12(18)7-8-15(14)24-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyXAYGDORFADTPTL-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.99
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2513719) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2513719
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C17H15ClN4O2S/c1-22-11-19-21-17(22)25-10-16(23)20-14-9-12(18)7-8-15(14)24-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyXAYGDORFADTPTL-UHFFFAOYSA-N
XLogP3.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2513719) is N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XAYGDORFADTPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-22-11-19-21-17(22)25-10-16(23)20-14-9-12(18)7-8-15(14)24-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 374.85 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2513719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).