methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate

C18H18N2O5S — CID 18134729

IUPACmethyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C18H18N2O5S/c1-25-18(22)15-8-2-3-9-16(15)19-17(21)13-6-4-7-14(12-13)20-10-5-11-26(20,23)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)
InChIKeyGGCIULFOFWXKMY-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate

methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate (PubChem CID 18134729) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
PubChem CID18134729
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Namemethyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C18H18N2O5S/c1-25-18(22)15-8-2-3-9-16(15)19-17(21)13-6-4-7-14(12-13)20-10-5-11-26(20,23)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)
InChIKeyGGCIULFOFWXKMY-UHFFFAOYSA-N
XLogP2.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate with MolForge

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972575
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51309956
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 24594691
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686036
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 29418178
N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499116
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]naphthalene-2-carboxamide
CID 7482934

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate (CID 18134729) is methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate?
The InChIKey is GGCIULFOFWXKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-25-18(22)15-8-2-3-9-16(15)19-17(21)13-6-4-7-14(12-13)20-10-5-11-26(20,23)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21).
What are the key properties of methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate?
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate has a molecular weight of 374.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 18134729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).