2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide

C17H24N5O2S+ — CID 6965200

IUPAC2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nnc(C[NH+]2CCOCC2)n1C
InChIInChI=1S/C17H23N5O2S/c1-13-5-3-4-6-14(13)18-16(23)12-25-17-20-19-15(21(17)2)11-22-7-9-24-10-8-22/h3-6H,7-12H2,1-2H3,(H,18,23)/p+1
InChIKeyCJFMZGREJIVUCO-UHFFFAOYSA-O
MW362.48 g/mol
LogP0.27
Rot. Bonds6

About 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide

2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 6965200) has the molecular formula C17H24N5O2S+ and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID6965200
Molecular FormulaC17H24N5O2S+
Molecular Weight362.48 g/mol
Exact Mass362.16
IUPAC Name2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nnc(C[NH+]2CCOCC2)n1C
InChIInChI=1S/C17H23N5O2S/c1-13-5-3-4-6-14(13)18-16(23)12-25-17-20-19-15(21(17)2)11-22-7-9-24-10-8-22/h3-6H,7-12H2,1-2H3,(H,18,23)/p+1
InChIKeyCJFMZGREJIVUCO-UHFFFAOYSA-O
XLogP0.27
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 6965208
N-(2-ethylphenyl)-2-[4-methyl-5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
CID 3646511
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 803006
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 994769
2-[[4-ethyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 2994135
N-(3,4-dimethylphenyl)-2-[4-methyl-5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
CID 3275671
2-[5-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
CID 4555219
2-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
CID 6495547
N-(2-methylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1155258
2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 1088658
2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 17265648
2-[[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 53128236

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide (CID 6965200) is 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nnc(C[NH+]2CCOCC2)n1C.
What is the InChIKey of 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is CJFMZGREJIVUCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N5O2S/c1-13-5-3-4-6-14(13)18-16(23)12-25-17-20-19-15(21(17)2)11-22-7-9-24-10-8-22/h3-6H,7-12H2,1-2H3,(H,18,23)/p+1.
What are the key properties of 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 362.48 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 6965200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).