2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine

C14H17N3O3S2 — CID 7197447

IUPAC2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine
SMILESCOc1ccc(CC/N=C(\N)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-20-12-6-4-11(5-7-12)8-9-16-14(15)17-22(18,19)13-3-2-10-21-13/h2-7,10H,8-9H2,1H3,(H3,15,16,17)
InChIKeyWJVGTXBBDMGZIE-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.59
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine

2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine (PubChem CID 7197447) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine
PubChem CID7197447
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine
SMILESCOc1ccc(CC/N=C(\N)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-20-12-6-4-11(5-7-12)8-9-16-14(15)17-22(18,19)13-3-2-10-21-13/h2-7,10H,8-9H2,1H3,(H3,15,16,17)
InChIKeyWJVGTXBBDMGZIE-UHFFFAOYSA-N
XLogP1.59
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine (CID 7197447) is 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine is COc1ccc(CC/N=C(\N)NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine?
The InChIKey is WJVGTXBBDMGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-20-12-6-4-11(5-7-12)8-9-16-14(15)17-22(18,19)13-3-2-10-21-13/h2-7,10H,8-9H2,1H3,(H3,15,16,17).
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine?
2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine has a molecular weight of 339.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine is sourced from PubChem (CID 7197447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).