5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

C19H16BrN3O3S — CID 17361445

IUPAC5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H16BrN3O3S/c1-2-26-16-8-5-13(20)11-15(16)18(25)22-14-6-3-12(4-7-14)17(24)23-19-21-9-10-27-19/h3-11H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOEWSPKKSMOMGMY-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.81
Rot. Bonds6

About 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 17361445) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID17361445
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H16BrN3O3S/c1-2-26-16-8-5-13(20)11-15(16)18(25)22-14-6-3-12(4-7-14)17(24)23-19-21-9-10-27-19/h3-11H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOEWSPKKSMOMGMY-UHFFFAOYSA-N
XLogP4.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943059
5-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 1026563
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321520
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 65307966
5-bromo-2-butoxy-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17235078
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943256
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686
5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 17361445) is 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is CCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is OEWSPKKSMOMGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-2-26-16-8-5-13(20)11-15(16)18(25)22-14-6-3-12(4-7-14)17(24)23-19-21-9-10-27-19/h3-11H,2H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 446.33 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17361445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).