N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide

C17H20ClN5O3S — CID 6461310

IUPACN-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide
SMILESCn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C17H20ClN5O3S/c1-22-14(10-15(24)19-13-4-2-12(18)3-5-13)20-21-17(22)27-11-16(25)23-6-8-26-9-7-23/h2-5H,6-11H2,1H3,(H,19,24)
InChIKeyUIFSYAIUXKAAFX-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.60
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide

N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 6461310) has the molecular formula C17H20ClN5O3S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide
PubChem CID6461310
Molecular FormulaC17H20ClN5O3S
Molecular Weight409.90 g/mol
Exact Mass409.10
IUPAC NameN-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide
SMILESCn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C17H20ClN5O3S/c1-22-14(10-15(24)19-13-4-2-12(18)3-5-13)20-21-17(22)27-11-16(25)23-6-8-26-9-7-23/h2-5H,6-11H2,1H3,(H,19,24)
InChIKeyUIFSYAIUXKAAFX-UHFFFAOYSA-N
XLogP1.60
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide (CID 6461310) is N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide is Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is UIFSYAIUXKAAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3S/c1-22-14(10-15(24)19-13-4-2-12(18)3-5-13)20-21-17(22)27-11-16(25)23-6-8-26-9-7-23/h2-5H,6-11H2,1H3,(H,19,24).
What are the key properties of N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide?
N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 6461310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).