N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide

C13H18N2O3S — CID 7638744

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H18N2O3S/c1-2-5-13(16)14-11-6-3-7-12(10-11)15-8-4-9-19(15,17)18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,14,16)
InChIKeyIYTDGWKDFNRAPX-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.97
Rot. Bonds4

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide (PubChem CID 7638744) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
PubChem CID7638744
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H18N2O3S/c1-2-5-13(16)14-11-6-3-7-12(10-11)15-8-4-9-19(15,17)18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,14,16)
InChIKeyIYTDGWKDFNRAPX-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(4-methylphenyl)butanamide
CID 110302263
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303569
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483167
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
2-(3,4-dimethoxyphenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483155
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 7638794
4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7483166
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
CID 110312880

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide (CID 7638744) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide?
The InChIKey is IYTDGWKDFNRAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-5-13(16)14-11-6-3-7-12(10-11)15-8-4-9-19(15,17)18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,14,16).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide has a molecular weight of 282.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide is sourced from PubChem (CID 7638744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).