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

C18H17N3O5S — CID 110407862

IUPACN-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C18H17N3O5S/c1-19-18(24)14-4-2-3-5-15(14)20-17(23)12-6-8-13(9-7-12)21-16(22)10-11-27(21,25)26/h2-9H,10-11H2,1H3,(H,19,24)(H,20,23)
InChIKeyNNEABFGSSRUXQG-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.37
Rot. Bonds4

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

N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide (PubChem CID 110407862) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide
PubChem CID110407862
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C18H17N3O5S/c1-19-18(24)14-4-2-3-5-15(14)20-17(23)12-6-8-13(9-7-12)21-16(22)10-11-27(21,25)26/h2-9H,10-11H2,1H3,(H,19,24)(H,20,23)
InChIKeyNNEABFGSSRUXQG-UHFFFAOYSA-N
XLogP1.37
TPSA112.65 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 22695138
N-(2-bromophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997199
N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996561
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006852
N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996594
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007163
2-chloro-N-(2-methoxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996983
N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996979
N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110616599
N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997161

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide (CID 110407862) is N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide is CNC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide?
The InChIKey is NNEABFGSSRUXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-19-18(24)14-4-2-3-5-15(14)20-17(23)12-6-8-13(9-7-12)21-16(22)10-11-27(21,25)26/h2-9H,10-11H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide?
N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide has a molecular weight of 387.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 110407862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).