2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide

C18H18N4OS2 — CID 102109804

IUPAC2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide
SMILESO=C(CSc1ccccc1)NCc1cn(CSc2ccccc2)nn1
InChIInChI=1S/C18H18N4OS2/c23-18(13-24-16-7-3-1-4-8-16)19-11-15-12-22(21-20-15)14-25-17-9-5-2-6-10-17/h1-10,12H,11,13-14H2,(H,19,23)
InChIKeyNELJPHMSIUJBFH-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.44
Rot. Bonds8

About 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide

2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide (PubChem CID 102109804) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide
PubChem CID102109804
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide
SMILESO=C(CSc1ccccc1)NCc1cn(CSc2ccccc2)nn1
InChIInChI=1S/C18H18N4OS2/c23-18(13-24-16-7-3-1-4-8-16)19-11-15-12-22(21-20-15)14-25-17-9-5-2-6-10-17/h1-10,12H,11,13-14H2,(H,19,23)
InChIKeyNELJPHMSIUJBFH-UHFFFAOYSA-N
XLogP3.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-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

1-(cis-4-aminocyclohexyl)-N-ethyl-N-[2-(phenylthio)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70747048
N-[(1-benzyltriazol-4-yl)methyl]-2-phenylsulfanylacetamide
CID 102109797
N-[[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66191717
N-[[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66192453
N-[[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66192496
N-[[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]propan-1-amine
CID 66192560
N-[[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]ethanamine
CID 66193105
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]propan-2-amine
CID 66193179
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66193255
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193596
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]ethanamine
CID 66193695
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194045

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide (CID 102109804) is 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide is O=C(CSc1ccccc1)NCc1cn(CSc2ccccc2)nn1.
What is the InChIKey of 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide?
The InChIKey is NELJPHMSIUJBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c23-18(13-24-16-7-3-1-4-8-16)19-11-15-12-22(21-20-15)14-25-17-9-5-2-6-10-17/h1-10,12H,11,13-14H2,(H,19,23).
What are the key properties of 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide?
2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[[1-(phenylsulfanylmethyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 102109804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).