N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide

C17H22N2O4S2 — CID 43048057

IUPACN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C)cc2O)s1
InChIInChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)16-9-7-13(24-16)11-18-17(21)14-8-6-12(3)10-15(14)20/h6-10,20H,4-5,11H2,1-3H3,(H,18,21)
InChIKeyHOCSNQABBDDCJD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.72
Rot. Bonds7

About N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide (PubChem CID 43048057) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide
PubChem CID43048057
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C)cc2O)s1
InChIInChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)16-9-7-13(24-16)11-18-17(21)14-8-6-12(3)10-15(14)20/h6-10,20H,4-5,11H2,1-3H3,(H,18,21)
InChIKeyHOCSNQABBDDCJD-UHFFFAOYSA-N
XLogP2.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide (CID 43048057) is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C)cc2O)s1.
What is the InChIKey of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is HOCSNQABBDDCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)16-9-7-13(24-16)11-18-17(21)14-8-6-12(3)10-15(14)20/h6-10,20H,4-5,11H2,1-3H3,(H,18,21).
What are the key properties of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide?
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 382.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 43048057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).