N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide

C13H18N2O4S — CID 7638831

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C13H18N2O4S/c1-10-4-5-11(15-6-3-7-20(15,17)18)8-12(10)14-13(16)9-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16)
InChIKeyWKCXSQHNBKWNKR-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.12
Rot. Bonds4

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide (PubChem CID 7638831) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide
PubChem CID7638831
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C13H18N2O4S/c1-10-4-5-11(15-6-3-7-20(15,17)18)8-12(10)14-13(16)9-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16)
InChIKeyWKCXSQHNBKWNKR-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]methanesulfonamide
CID 7635973
1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide
CID 43990325
2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide
CID 9079187
N-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)ethanesulfonamide
CID 7635599
N-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 7635604
N-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)propane-2-sulfonamide
CID 7635607
N-(4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl)ethanesulfonamide
CID 7635974
N-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)cyclopropanecarboxamide
CID 7638813
Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate
CID 7638850
N1-(3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)-N2-(2-methoxyethyl)oxalamide
CID 7638922
N1-benzyl-N2-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)oxalamide
CID 7638989
N1-cyclopentyl-N2-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)oxalamide
CID 7638992

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide (CID 7638831) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide is COCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide?
The InChIKey is WKCXSQHNBKWNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-4-5-11(15-6-3-7-20(15,17)18)8-12(10)14-13(16)9-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide has a molecular weight of 298.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxyacetamide is sourced from PubChem (CID 7638831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).