N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C17H23N3O3S2 — CID 70680669

IUPACN-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)C(C)C)n2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-5-20(6-2)25(22,23)14-9-7-13(8-10-14)15-11-24-17(18-15)19-16(21)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,21)
InChIKeyVEXWBAPRZKJOBS-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.44
Rot. Bonds7

About N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 70680669) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID70680669
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)C(C)C)n2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-5-20(6-2)25(22,23)14-9-7-13(8-10-14)15-11-24-17(18-15)19-16(21)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,21)
InChIKeyVEXWBAPRZKJOBS-UHFFFAOYSA-N
XLogP3.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 70680669) is N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CCN(CC)S(=O)(=O)c1ccc(-c2csc(NC(=O)C(C)C)n2)cc1.
What is the InChIKey of N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is VEXWBAPRZKJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-5-20(6-2)25(22,23)14-9-7-13(8-10-14)15-11-24-17(18-15)19-16(21)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,21).
What are the key properties of N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 70680669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).