N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide

C17H15BrN2O4S — CID 26824391

IUPACN-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1=O
InChIInChI=1S/C17H15BrN2O4S/c1-11-10-25(23,24)20(17(11)22)15-8-2-12(3-9-15)16(21)19-14-6-4-13(18)5-7-14/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyHSOSMPGFKDWZSV-NSHDSACASA-N
MW423.29 g/mol
LogP3.01
Rot. Bonds3

About N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide

N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (PubChem CID 26824391) has the molecular formula C17H15BrN2O4S and a molecular weight of 423.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
PubChem CID26824391
Molecular FormulaC17H15BrN2O4S
Molecular Weight423.29 g/mol
Exact Mass421.99
IUPAC NameN-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
SMILESC[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1=O
InChIInChI=1S/C17H15BrN2O4S/c1-11-10-25(23,24)20(17(11)22)15-8-2-12(3-9-15)16(21)19-14-6-4-13(18)5-7-14/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyHSOSMPGFKDWZSV-NSHDSACASA-N
XLogP3.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282
N-(4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996699
N-(4-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824350
4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide
CID 42349852
N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006949
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996707
N-(3-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349780
3-[[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzoic acid
CID 28811757
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
CID 42347874
N-(2,4-dimethylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824288
N-(2-tert-butylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824340

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide (CID 26824391) is N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1=O.
What is the InChIKey of N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
The InChIKey is HSOSMPGFKDWZSV-NSHDSACASA-N. The full InChI is InChI=1S/C17H15BrN2O4S/c1-11-10-25(23,24)20(17(11)22)15-8-2-12(3-9-15)16(21)19-14-6-4-13(18)5-7-14/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide?
N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide has a molecular weight of 423.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 26824391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).