4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide

C18H17N3O5S — CID 42349852

IUPAC4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide
SMILESC[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)C1=O
InChIInChI=1S/C18H17N3O5S/c1-11-10-27(25,26)21(18(11)24)15-8-4-13(5-9-15)17(23)20-14-6-2-12(3-7-14)16(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,23)/t11-/m1/s1
InChIKeyMDZWQVIAUHGOLD-LLVKDONJSA-N
MW387.42 g/mol
LogP1.35
Rot. Bonds4

About 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide

4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide (PubChem CID 42349852) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide
PubChem CID42349852
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide
SMILESC[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)C1=O
InChIInChI=1S/C18H17N3O5S/c1-11-10-27(25,26)21(18(11)24)15-8-4-13(5-9-15)17(23)20-14-6-2-12(3-7-14)16(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,23)/t11-/m1/s1
InChIKeyMDZWQVIAUHGOLD-LLVKDONJSA-N
XLogP1.35
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide with MolForge

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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-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824391
N-(4-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824350
N-(3-acetamidophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824444
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
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996707
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
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide
CID 26824324
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 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide?
The IUPAC name of 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide (CID 42349852) is 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide.
What is the SMILES notation for 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide?
The canonical SMILES for 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide is C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)C1=O.
What is the InChIKey of 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide?
The InChIKey is MDZWQVIAUHGOLD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-11-10-27(25,26)21(18(11)24)15-8-4-13(5-9-15)17(23)20-14-6-2-12(3-7-14)16(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,23)/t11-/m1/s1.
What are the key properties of 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide?
4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide has a molecular weight of 387.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzamide is sourced from PubChem (CID 42349852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).