2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine

C13H15N3O2S2 — CID 7197390

IUPAC2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine
SMILESN/C(=N\CCc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15N3O2S2/c14-13(15-9-8-11-5-2-1-3-6-11)16-20(17,18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H3,14,15,16)
InChIKeyDEJJJZBEMWXFHY-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.58
Rot. Bonds5

About 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine

2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine (PubChem CID 7197390) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine.

Molecular Properties

Compound Name2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine
PubChem CID7197390
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine
SMILESN/C(=N\CCc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15N3O2S2/c14-13(15-9-8-11-5-2-1-3-6-11)16-20(17,18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H3,14,15,16)
InChIKeyDEJJJZBEMWXFHY-UHFFFAOYSA-N
XLogP1.58
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-N-[2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 711102
N-benzylthiophene-2-sulfonamide
CID 765826
N-(2-phenylethyl)thiophene-2-sulfonamide
CID 765827
4-Phenyl-1-(3-thienylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 2738369
3-(4-Fluorobenzyl)-2-methyl-1-(2-thienylsulfonyl)isothiourea
CID 2354069
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268
methyl N'-(1-phenylethyl)-N-thiophen-2-ylsulfonylcarbamimidothioate
CID 4525745
N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 2218991
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007
N-[(isopropylamino)(phenyl)methylene]-2-thiophenesulfonamide
CID 2946212
N-[(tert-butylamino)(phenyl)methylene]-2-thiophenesulfonamide
CID 3564949
4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 5190927

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine?
The IUPAC name of 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine (CID 7197390) is 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine.
What is the SMILES notation for 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine?
The canonical SMILES for 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine is N/C(=N\CCc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine?
The InChIKey is DEJJJZBEMWXFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c14-13(15-9-8-11-5-2-1-3-6-11)16-20(17,18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H3,14,15,16).
What are the key properties of 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine?
2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine has a molecular weight of 309.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1-thiophen-2-ylsulfonylguanidine is sourced from PubChem (CID 7197390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).