N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide

C15H14N2O3S2 — CID 71982069

IUPACN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)C#Cc2ccccc2)s1
InChIInChI=1S/C15H14N2O3S2/c1-16-22(19,20)15-10-8-13(21-15)11-17-14(18)9-7-12-5-3-2-4-6-12/h2-6,8,10,16H,11H2,1H3,(H,17,18)
InChIKeyGGQCGNBYFKEAAI-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.32
Rot. Bonds4

About N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide

N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide (PubChem CID 71982069) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
PubChem CID71982069
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)C#Cc2ccccc2)s1
InChIInChI=1S/C15H14N2O3S2/c1-16-22(19,20)15-10-8-13(21-15)11-17-14(18)9-7-12-5-3-2-4-6-12/h2-6,8,10,16H,11H2,1H3,(H,17,18)
InChIKeyGGQCGNBYFKEAAI-UHFFFAOYSA-N
XLogP1.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide (CID 71982069) is N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide is CNS(=O)(=O)c1ccc(CNC(=O)C#Cc2ccccc2)s1.
What is the InChIKey of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide?
The InChIKey is GGQCGNBYFKEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-16-22(19,20)15-10-8-13(21-15)11-17-14(18)9-7-12-5-3-2-4-6-12/h2-6,8,10,16H,11H2,1H3,(H,17,18).
What are the key properties of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide?
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide has a molecular weight of 334.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 71982069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).