4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide

C24H28BrN3O3S2 — CID 4574382

IUPAC4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C24H28BrN3O3S2/c1-16(2)13-28(14-17(3)4)33(30,31)21-11-7-19(8-12-21)23(29)27-24-26-22(15-32-24)18-5-9-20(25)10-6-18/h5-12,15-17H,13-14H2,1-4H3,(H,26,27,29)
InChIKeyMKDHEEMZUJSWBA-UHFFFAOYSA-N
MW550.54 g/mol
LogP6.13
Rot. Bonds9

About 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide

4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4574382) has the molecular formula C24H28BrN3O3S2 and a molecular weight of 550.54 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4574382
Molecular FormulaC24H28BrN3O3S2
Molecular Weight550.54 g/mol
Exact Mass549.08
IUPAC Name4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C24H28BrN3O3S2/c1-16(2)13-28(14-17(3)4)33(30,31)21-11-7-19(8-12-21)23(29)27-24-26-22(15-32-24)18-5-9-20(25)10-6-18/h5-12,15-17H,13-14H2,1-4H3,(H,26,27,29)
InChIKeyMKDHEEMZUJSWBA-UHFFFAOYSA-N
XLogP6.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.54
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3575429
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 3584332
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide (CID 4574382) is 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MKDHEEMZUJSWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O3S2/c1-16(2)13-28(14-17(3)4)33(30,31)21-11-7-19(8-12-21)23(29)27-24-26-22(15-32-24)18-5-9-20(25)10-6-18/h5-12,15-17H,13-14H2,1-4H3,(H,26,27,29).
What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide?
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 550.54 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4574382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).