N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide

C19H18N2O5S — CID 35569569

IUPACN-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H18N2O5S/c22-16-10-27-19(25)21(16)14-7-3-2-6-13(14)20-17(23)12-9-11-5-1-4-8-15(11)26-18(12)24/h1,4-5,8-9,13-14H,2-3,6-7,10H2,(H,20,23)/t13-,14+/m0/s1
InChIKeyLPCHICKFFYTCDW-UONOGXRCSA-N
MW386.43 g/mol
LogP2.53
Rot. Bonds3

About N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide

N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide (PubChem CID 35569569) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
PubChem CID35569569
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H18N2O5S/c22-16-10-27-19(25)21(16)14-7-3-2-6-13(14)20-17(23)12-9-11-5-1-4-8-15(11)26-18(12)24/h1,4-5,8-9,13-14H,2-3,6-7,10H2,(H,20,23)/t13-,14+/m0/s1
InChIKeyLPCHICKFFYTCDW-UONOGXRCSA-N
XLogP2.53
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569573
N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
CID 62365593
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-indol-1-ylacetamide
CID 51896526
6-chloro-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-4-oxochromene-2-carboxamide
CID 35569593
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896523
2-oxo-N-(2-thiophen-2-ylcyclopropyl)chromene-3-carboxamide
CID 110741738
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
N-[2-(1-benzofuran-2-carbonylamino)cyclohexyl]-1-benzofuran-2-carboxamide
CID 171722189
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
CID 45195643
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxochromene-3-carboxamide
CID 18121067

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide (CID 35569569) is N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide is O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide?
The InChIKey is LPCHICKFFYTCDW-UONOGXRCSA-N. The full InChI is InChI=1S/C19H18N2O5S/c22-16-10-27-19(25)21(16)14-7-3-2-6-13(14)20-17(23)12-9-11-5-1-4-8-15(11)26-18(12)24/h1,4-5,8-9,13-14H,2-3,6-7,10H2,(H,20,23)/t13-,14+/m0/s1.
What are the key properties of N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide?
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 35569569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).