N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide

C11H12N2O4S — CID 82092532

IUPACN-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C11H12N2O4S/c1-8(14)12-9-3-2-4-10(7-9)13-11(15)5-6-18(13,16)17/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyZKDITESFXDRNEK-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.71
Rot. Bonds2

About N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide

N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide (PubChem CID 82092532) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
PubChem CID82092532
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C11H12N2O4S/c1-8(14)12-9-3-2-4-10(7-9)13-11(15)5-6-18(13,16)17/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyZKDITESFXDRNEK-UHFFFAOYSA-N
XLogP0.71
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylamino)phenyl]-1,1-dioxothiazinan-3-one
CID 117029952
N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-[4-[[2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 20996020
N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996594
2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996957
N-(2-bromophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997199
N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997162
N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110306432
N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 26833741
N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide
CID 91074149
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
CID 820347
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007406

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide (CID 82092532) is N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
The InChIKey is ZKDITESFXDRNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-8(14)12-9-3-2-4-10(7-9)13-11(15)5-6-18(13,16)17/h2-4,7H,5-6H2,1H3,(H,12,14).
What are the key properties of N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide?
N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide has a molecular weight of 268.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 82092532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).