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

C19H21FN2O3S — CID 110312880

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14(15-6-8-16(20)9-7-15)12-19(23)21-17-4-2-5-18(13-17)22-10-3-11-26(22,24)25/h2,4-9,13-14H,3,10-12H2,1H3,(H,21,23)
InChIKeyIAERNAOJDOAGGM-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.50
Rot. Bonds5

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

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide (PubChem CID 110312880) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
PubChem CID110312880
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14(15-6-8-16(20)9-7-15)12-19(23)21-17-4-2-5-18(13-17)22-10-3-11-26(22,24)25/h2,4-9,13-14H,3,10-12H2,1H3,(H,21,23)
InChIKeyIAERNAOJDOAGGM-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]-2-(4-fluorophenyl)butanamide
CID 110353565
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]-3-(3-fluorophenyl)propanamide
CID 110621350
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
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]-2-(2-methylphenoxy)acetamide
CID 7638794
3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
CID 110302278
3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 110618601
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483167
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(4-methylphenyl)butanamide
CID 110302263
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 N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide (CID 110312880) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide is CC(CC(=O)Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide?
The InChIKey is IAERNAOJDOAGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14(15-6-8-16(20)9-7-15)12-19(23)21-17-4-2-5-18(13-17)22-10-3-11-26(22,24)25/h2,4-9,13-14H,3,10-12H2,1H3,(H,21,23).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide has a molecular weight of 376.45 g/mol, XLogP of 3.50, 5 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]-3-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110312880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).