N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

C15H20N4OS — CID 64512383

IUPACN-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1cccc(CSCC(=O)N(C)Cc2n[nH]c(C)n2)c1
InChIInChI=1S/C15H20N4OS/c1-11-5-4-6-13(7-11)9-21-10-15(20)19(3)8-14-16-12(2)17-18-14/h4-7H,8-10H2,1-3H3,(H,16,17,18)
InChIKeyCVOMLILRDZODER-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64512383) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64512383
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1cccc(CSCC(=O)N(C)Cc2n[nH]c(C)n2)c1
InChIInChI=1S/C15H20N4OS/c1-11-5-4-6-13(7-11)9-21-10-15(20)19(3)8-14-16-12(2)17-18-14/h4-7H,8-10H2,1-3H3,(H,16,17,18)
InChIKeyCVOMLILRDZODER-UHFFFAOYSA-N
XLogP2.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 64512159
N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037048
2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64510602
3-[methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 60989313
2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64511765
N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 137294316
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 115759947
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 64511227
N-(2,6-dichlorophenyl)-2-[methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 27807243
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289669

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64512383) is N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1cccc(CSCC(=O)N(C)Cc2n[nH]c(C)n2)c1.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is CVOMLILRDZODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-5-4-6-13(7-11)9-21-10-15(20)19(3)8-14-16-12(2)17-18-14/h4-7H,8-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64512383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).