N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

C24H26ClN3O4S — CID 118731316

IUPACN-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
SMILESCC(CN(C)C)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1=O
InChIInChI=1S/C24H26ClN3O4S/c1-16(13-27(2)3)14-28-23(30)21(33-24(28)31)11-17-7-9-20(10-8-17)32-15-22(29)26-19-6-4-5-18(25)12-19/h4-12,16H,13-15H2,1-3H3,(H,26,29)/b21-11-
InChIKeyPZJRBZDALAXBAZ-NHDPSOOVSA-N
MW488.01 g/mol
LogP4.59
Rot. Bonds9

About N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (PubChem CID 118731316) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
PubChem CID118731316
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC NameN-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
SMILESCC(CN(C)C)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1=O
InChIInChI=1S/C24H26ClN3O4S/c1-16(13-27(2)3)14-28-23(30)21(33-24(28)31)11-17-7-9-20(10-8-17)32-15-22(29)26-19-6-4-5-18(25)12-19/h4-12,16H,13-15H2,1-3H3,(H,26,29)/b21-11-
InChIKeyPZJRBZDALAXBAZ-NHDPSOOVSA-N
XLogP4.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N1-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 2744126
(Z)-N-(3-Chlorophenyl)-2-(4-((2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)acetamide
CID 18808443
4-[2-(3-chlorophenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 18452193
4-[2-(4-chlorophenyl)ethyl]-6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 18452198
4-[(4-chlorophenyl)methyl]-6-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 18452323
2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 4800881
3-[(5Z)-5-[[3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 2111418
3-[(5E)-5-[[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 2453346
2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 2151850
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 2379929
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 2381082
N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16631988

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (CID 118731316) is N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is CC(CN(C)C)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?
The InChIKey is PZJRBZDALAXBAZ-NHDPSOOVSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-16(13-27(2)3)14-28-23(30)21(33-24(28)31)11-17-7-9-20(10-8-17)32-15-22(29)26-19-6-4-5-18(25)12-19/h4-12,16H,13-15H2,1-3H3,(H,26,29)/b21-11-.
What are the key properties of N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?
N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide has a molecular weight of 488.01 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-[(Z)-[3-[3-(dimethylamino)-2-methylpropyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 118731316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).