N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C16H20N2O5S — CID 110306432

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCC1(O)CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C16H20N2O5S/c19-14-6-9-24(22,23)18(14)13-5-3-4-12(10-13)15(20)17-11-16(21)7-1-2-8-16/h3-5,10,21H,1-2,6-9,11H2,(H,17,20)
InChIKeyRMJXJOIMNXTYBD-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.79
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 110306432) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID110306432
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCC1(O)CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C16H20N2O5S/c19-14-6-9-24(22,23)18(14)13-5-3-4-12(10-13)15(20)17-11-16(21)7-1-2-8-16/h3-5,10,21H,1-2,6-9,11H2,(H,17,20)
InChIKeyRMJXJOIMNXTYBD-UHFFFAOYSA-N
XLogP0.79
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898583
N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898578
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
N-(2-bromophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997199
N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42343146
N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898606
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781
N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 26833741
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42343827
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 82092532

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 110306432) is N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NCC1(O)CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is RMJXJOIMNXTYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c19-14-6-9-24(22,23)18(14)13-5-3-4-12(10-13)15(20)17-11-16(21)7-1-2-8-16/h3-5,10,21H,1-2,6-9,11H2,(H,17,20).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 352.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 110306432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).