N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C16H20N2O4S — CID 20898578

IUPACN-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NC1CCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C16H20N2O4S/c19-15-9-10-23(21,22)18(15)14-8-4-5-12(11-14)16(20)17-13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyOBSVLSUUQBXKJX-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.82
Rot. Bonds3

About N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20898578) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20898578
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NC1CCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C16H20N2O4S/c19-15-9-10-23(21,22)18(15)14-8-4-5-12(11-14)16(20)17-13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyOBSVLSUUQBXKJX-UHFFFAOYSA-N
XLogP1.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-[(1-hydroxycyclopentyl)methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110306432
N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 26833741
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781
N-(furan-2-ylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898583
N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997161
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
N-[2-(3-methoxyphenyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898606
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119478135
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007390
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-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20898578) is N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NC1CCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is OBSVLSUUQBXKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-15-9-10-23(21,22)18(15)14-8-4-5-12(11-14)16(20)17-13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2,(H,17,20).
What are the key properties of N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 336.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20898578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).