N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C15H20N4OS — CID 974983

IUPACN-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC(C)Cc1nc(SCC(=O)NCc2ccccc2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-11(2)8-13-17-15(19-18-13)21-10-14(20)16-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyFRIDFFUGBPNNEC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.41
Rot. Bonds7

About N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 974983) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID974983
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC(C)Cc1nc(SCC(=O)NCc2ccccc2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-11(2)8-13-17-15(19-18-13)21-10-14(20)16-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyFRIDFFUGBPNNEC-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 974983) is N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC(C)Cc1nc(SCC(=O)NCc2ccccc2)n[nH]1.
What is the InChIKey of N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is FRIDFFUGBPNNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(2)8-13-17-15(19-18-13)21-10-14(20)16-9-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 974983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).