N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

C19H24ClN3O3S — CID 1217522

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)N(C)C1=O
InChIInChI=1S/C19H24ClN3O3S/c1-23-18(25)16(27-19(23)21-13-6-4-3-5-7-13)11-17(24)22-14-10-12(20)8-9-15(14)26-2/h8-10,13,16H,3-7,11H2,1-2H3,(H,22,24)/b21-19-/t16-/m1/s1
InChIKeyNTUZNLWQVXMXGE-BSBNDGSWSA-N
MW409.94 g/mol
LogP3.94
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1217522) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID1217522
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)N(C)C1=O
InChIInChI=1S/C19H24ClN3O3S/c1-23-18(25)16(27-19(23)21-13-6-4-3-5-7-13)11-17(24)22-14-10-12(20)8-9-15(14)26-2/h8-10,13,16H,3-7,11H2,1-2H3,(H,22,24)/b21-19-/t16-/m1/s1
InChIKeyNTUZNLWQVXMXGE-BSBNDGSWSA-N
XLogP3.94
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41201265
N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide
CID 1225011
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40830343
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 9430014
2-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368813
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5R)-3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1224444
2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3524942
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 35177861
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217994
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 21369010

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 1217522) is N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)N(C)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is NTUZNLWQVXMXGE-BSBNDGSWSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-23-18(25)16(27-19(23)21-13-6-4-3-5-7-13)11-17(24)22-14-10-12(20)8-9-15(14)26-2/h8-10,13,16H,3-7,11H2,1-2H3,(H,22,24)/b21-19-/t16-/m1/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 409.94 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1217522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).