N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide

C15H16N4O2S2 — CID 56720881

IUPACN-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc(CCc2ccccc2)n[nH]1)c1cccs1
InChIInChI=1S/C15H16N4O2S2/c20-23(21,15-7-4-10-22-15)16-11-14-17-13(18-19-14)9-8-12-5-2-1-3-6-12/h1-7,10,16H,8-9,11H2,(H,17,18,19)
InChIKeyJMSVWESWBCDSCN-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.13
Rot. Bonds7

About N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide

N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 56720881) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide
PubChem CID56720881
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc(CCc2ccccc2)n[nH]1)c1cccs1
InChIInChI=1S/C15H16N4O2S2/c20-23(21,15-7-4-10-22-15)16-11-14-17-13(18-19-14)9-8-12-5-2-1-3-6-12/h1-7,10,16H,8-9,11H2,(H,17,18,19)
InChIKeyJMSVWESWBCDSCN-UHFFFAOYSA-N
XLogP2.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide 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-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79601055
3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
CID 61337716
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31972396
5-[(4-methylsulfonylphenyl)methyl]-3-(2-phenylethyl)-1H-1,2,4-triazole
CID 50958608
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 9190738
5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
CID 81100168

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide (CID 56720881) is N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1nc(CCc2ccccc2)n[nH]1)c1cccs1.
What is the InChIKey of N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is JMSVWESWBCDSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c20-23(21,15-7-4-10-22-15)16-11-14-17-13(18-19-14)9-8-12-5-2-1-3-6-12/h1-7,10,16H,8-9,11H2,(H,17,18,19).
What are the key properties of N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide?
N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 56720881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).