N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H20N4O2S2 — CID 8580484

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)N(C)Cc2sccc2C)n[nH]c1=O
InChIInChI=1S/C14H20N4O2S2/c1-4-6-18-13(20)15-16-14(18)22-9-12(19)17(3)8-11-10(2)5-7-21-11/h5,7H,4,6,8-9H2,1-3H3,(H,15,20)
InChIKeyZFSLSVYUMIVULU-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.10
Rot. Bonds7

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8580484) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8580484
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)N(C)Cc2sccc2C)n[nH]c1=O
InChIInChI=1S/C14H20N4O2S2/c1-4-6-18-13(20)15-16-14(18)22-9-12(19)17(3)8-11-10(2)5-7-21-11/h5,7H,4,6,8-9H2,1-3H3,(H,15,20)
InChIKeyZFSLSVYUMIVULU-UHFFFAOYSA-N
XLogP2.10
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8580484) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)N(C)Cc2sccc2C)n[nH]c1=O.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZFSLSVYUMIVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-4-6-18-13(20)15-16-14(18)22-9-12(19)17(3)8-11-10(2)5-7-21-11/h5,7H,4,6,8-9H2,1-3H3,(H,15,20).
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8580484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).