N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide

C16H21N3O3S2 — CID 55954055

IUPACN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide
SMILESCCCc1nc(NC(=O)c2ccc(S(=O)(=O)NC)cc2)sc1CC
InChIInChI=1S/C16H21N3O3S2/c1-4-6-13-14(5-2)23-16(18-13)19-15(20)11-7-9-12(10-8-11)24(21,22)17-3/h7-10,17H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyZFBWHLKNCNHCDL-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.82
Rot. Bonds7

About N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide (PubChem CID 55954055) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide
PubChem CID55954055
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide
SMILESCCCc1nc(NC(=O)c2ccc(S(=O)(=O)NC)cc2)sc1CC
InChIInChI=1S/C16H21N3O3S2/c1-4-6-13-14(5-2)23-16(18-13)19-15(20)11-7-9-12(10-8-11)24(21,22)17-3/h7-10,17H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyZFBWHLKNCNHCDL-UHFFFAOYSA-N
XLogP2.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)benzamide
CID 55903626
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55904017
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 52707198
3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 56552336
N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55540564
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 18274113
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55843447
1-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926677
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 3346909

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide (CID 55954055) is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide is CCCc1nc(NC(=O)c2ccc(S(=O)(=O)NC)cc2)sc1CC.
What is the InChIKey of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide?
The InChIKey is ZFBWHLKNCNHCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-4-6-13-14(5-2)23-16(18-13)19-15(20)11-7-9-12(10-8-11)24(21,22)17-3/h7-10,17H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide?
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide has a molecular weight of 367.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55954055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).