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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Related Compounds

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
CID 18140594
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24608787
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 35211873
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 18284337
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
2-hydroxy-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47398917
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
CID 103731815
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114598
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24598619
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464

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).