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

C16H20BrN3O3S2 — CID 86836069

IUPAC2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCc2cnc(C)s2)c1
InChIInChI=1S/C16H20BrN3O3S2/c1-4-20(5-2)25(22,23)13-6-7-15(17)14(8-13)16(21)19-10-12-9-18-11(3)24-12/h6-9H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyDWYKJOBIJIHGKV-UHFFFAOYSA-N
MW446.39 g/mol
LogP3.17
Rot. Bonds7

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

2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 86836069) has the molecular formula C16H20BrN3O3S2 and a molecular weight of 446.39 g/mol. Its IUPAC name is 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID86836069
Molecular FormulaC16H20BrN3O3S2
Molecular Weight446.39 g/mol
Exact Mass445.01
IUPAC Name2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCc2cnc(C)s2)c1
InChIInChI=1S/C16H20BrN3O3S2/c1-4-20(5-2)25(22,23)13-6-7-15(17)14(8-13)16(21)19-10-12-9-18-11(3)24-12/h6-9H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyDWYKJOBIJIHGKV-UHFFFAOYSA-N
XLogP3.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
CID 9296732
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
2-bromo-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfonyl]benzoic acid
CID 63019067
2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 43006202
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
3-(anilinocarbamoyl)-4-bromo-N,N-diethylbenzenesulfonamide
CID 86932912
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide
CID 26515577

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 86836069) is 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCc2cnc(C)s2)c1.
What is the InChIKey of 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is DWYKJOBIJIHGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3S2/c1-4-20(5-2)25(22,23)13-6-7-15(17)14(8-13)16(21)19-10-12-9-18-11(3)24-12/h6-9H,4-5,10H2,1-3H3,(H,19,21).
What are the key properties of 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 446.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 86836069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).