N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide

C15H18N2O3S2 — CID 23548815

IUPACN-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C15H18N2O3S2/c1-11(2)17-22(19,20)14-9-8-13(21-14)10-16-15(18)12-6-4-3-5-7-12/h3-9,11,17H,10H2,1-2H3,(H,16,18)
InChIKeyNAGPVCZXCDPCAD-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.36
Rot. Bonds6

About N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide

N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide (PubChem CID 23548815) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide
PubChem CID23548815
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C15H18N2O3S2/c1-11(2)17-22(19,20)14-9-8-13(21-14)10-16-15(18)12-6-4-3-5-7-12/h3-9,11,17H,10H2,1-2H3,(H,16,18)
InChIKeyNAGPVCZXCDPCAD-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide (CID 23548815) is N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide is CC(C)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is NAGPVCZXCDPCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11(2)17-22(19,20)14-9-8-13(21-14)10-16-15(18)12-6-4-3-5-7-12/h3-9,11,17H,10H2,1-2H3,(H,16,18).
What are the key properties of N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide?
N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propan-2-ylsulfamoyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 23548815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).