3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

C14H12N4O4S2 — CID 27257413

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)no1
InChIInChI=1S/C14H12N4O4S2/c1-9-7-12(17-22-9)18-24(20,21)11-4-2-3-10(8-11)13(19)16-14-15-5-6-23-14/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyBJXHWSNIYIMJCC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.49
Rot. Bonds5

About 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 27257413) has the molecular formula C14H12N4O4S2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID27257413
Molecular FormulaC14H12N4O4S2
Molecular Weight364.41 g/mol
Exact Mass364.03
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)no1
InChIInChI=1S/C14H12N4O4S2/c1-9-7-12(17-22-9)18-24(20,21)11-4-2-3-10(8-11)13(19)16-14-15-5-6-23-14/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyBJXHWSNIYIMJCC-UHFFFAOYSA-N
XLogP2.49
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
N-(1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2376546
N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109065841
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 109064428
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (CID 27257413) is 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is BJXHWSNIYIMJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S2/c1-9-7-12(17-22-9)18-24(20,21)11-4-2-3-10(8-11)13(19)16-14-15-5-6-23-14/h2-8H,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 27257413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).