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

C15H19N3O3S2 — CID 2122297

IUPAC3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C15H19N3O3S2/c1-4-18(5-2)23(20,21)13-8-6-7-12(9-13)14(19)17-15-16-10-11(3)22-15/h6-10H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyVYXANMKGTUGDAP-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.73
Rot. Bonds6

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

3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2122297) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2122297
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C15H19N3O3S2/c1-4-18(5-2)23(20,21)13-8-6-7-12(9-13)14(19)17-15-16-10-11(3)22-15/h6-10H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyVYXANMKGTUGDAP-UHFFFAOYSA-N
XLogP2.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154870
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
CID 60571694
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 2122297) is 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VYXANMKGTUGDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-4-18(5-2)23(20,21)13-8-6-7-12(9-13)14(19)17-15-16-10-11(3)22-15/h6-10H,4-5H2,1-3H3,(H,16,17,19).
What are the key properties of 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2122297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).