N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide

C18H22N2O5S — CID 35569327

IUPACN-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c1
InChIInChI=1S/C18H22N2O5S/c1-24-12-7-11(8-13(9-12)25-2)17(22)19-14-5-3-4-6-15(14)20-16(21)10-26-18(20)23/h7-9,14-15H,3-6,10H2,1-2H3,(H,19,22)/t14-,15-/m0/s1
InChIKeyJNDUFOCMZTUSAG-GJZGRUSLSA-N
MW378.45 g/mol
LogP2.44
Rot. Bonds5

About N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide

N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide (PubChem CID 35569327) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide
PubChem CID35569327
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c1
InChIInChI=1S/C18H22N2O5S/c1-24-12-7-11(8-13(9-12)25-2)17(22)19-14-5-3-4-6-15(14)20-16(21)10-26-18(20)23/h7-9,14-15H,3-6,10H2,1-2H3,(H,19,22)/t14-,15-/m0/s1
InChIKeyJNDUFOCMZTUSAG-GJZGRUSLSA-N
XLogP2.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]carbamoyl]benzoate
CID 51896508
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-methylbenzamide
CID 35569340
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 51896530
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 51896540
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide
CID 51896556
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569569
6-chloro-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-oxochromene-2-carboxamide
CID 35569593
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide
CID 51896526
3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51896602
3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
CID 81090519

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide (CID 35569327) is N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c1.
What is the InChIKey of N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide?
The InChIKey is JNDUFOCMZTUSAG-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-12-7-11(8-13(9-12)25-2)17(22)19-14-5-3-4-6-15(14)20-16(21)10-26-18(20)23/h7-9,14-15H,3-6,10H2,1-2H3,(H,19,22)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide?
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide has a molecular weight of 378.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 35569327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).