N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide

C14H17N3O3S2 — CID 17484062

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C14H17N3O3S2/c1-3-7-16-22(19,20)12-6-4-5-11(8-12)13(18)17-14-15-9-10(2)21-14/h4-6,8-9,16H,3,7H2,1-2H3,(H,15,17,18)
InChIKeyKEGLPGRCBNPZOJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.39
Rot. Bonds6

About N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide (PubChem CID 17484062) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
PubChem CID17484062
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C14H17N3O3S2/c1-3-7-16-22(19,20)12-6-4-5-11(8-12)13(18)17-14-15-9-10(2)21-14/h4-6,8-9,16H,3,7H2,1-2H3,(H,15,17,18)
InChIKeyKEGLPGRCBNPZOJ-UHFFFAOYSA-N
XLogP2.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2122297
3-(butylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226764
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
3-(propylsulfamoyl)benzoic acid
CID 2442822
3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226832
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55042843
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 4789120
3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226821

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide (CID 17484062) is N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide?
The InChIKey is KEGLPGRCBNPZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-3-7-16-22(19,20)12-6-4-5-11(8-12)13(18)17-14-15-9-10(2)21-14/h4-6,8-9,16H,3,7H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 17484062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).