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

C13H19N3O3S — CID 22690097

IUPAC4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H19N3O3S/c14-7-2-6-13(17)15-11-4-1-5-12(10-11)16-8-3-9-20(16,18)19/h1,4-5,10H,2-3,6-9,14H2,(H,15,17)
InChIKeyOIIVSRKZGKCIKP-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.90
Rot. Bonds5

About 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide

4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide (PubChem CID 22690097) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
PubChem CID22690097
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C13H19N3O3S/c14-7-2-6-13(17)15-11-4-1-5-12(10-11)16-8-3-9-20(16,18)19/h1,4-5,10H,2-3,6-9,14H2,(H,15,17)
InChIKeyOIIVSRKZGKCIKP-UHFFFAOYSA-N
XLogP0.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
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
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110303569
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-(4-benzylpiperazin-1-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 112824184
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7638801
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 7638794
2-(3,4-dimethoxyphenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483155

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide (CID 22690097) is 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide is NCCCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide?
The InChIKey is OIIVSRKZGKCIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-7-2-6-13(17)15-11-4-1-5-12(10-11)16-8-3-9-20(16,18)19/h1,4-5,10H,2-3,6-9,14H2,(H,15,17).
What are the key properties of 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide?
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide has a molecular weight of 297.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide is sourced from PubChem (CID 22690097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).