N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide

C21H22N2O3S2 — CID 18891991

IUPACN-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2SC(=S)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H22N2O3S2/c1-2-26-17-10-8-16(9-11-17)22-19(24)14-18-20(25)23(21(27)28-18)13-12-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,24)
InChIKeyWYAYPZNKSWDSSR-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.89
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide (PubChem CID 18891991) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
PubChem CID18891991
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2SC(=S)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H22N2O3S2/c1-2-26-17-10-8-16(9-11-17)22-19(24)14-18-20(25)23(21(27)28-18)13-12-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,24)
InChIKeyWYAYPZNKSWDSSR-UHFFFAOYSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(5R)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41282046
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527
N-(4-ethoxyphenyl)-2-[4-[(Z)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 126264297
2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41140598
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 18892023
(5S)-5-[(2,7-diethoxynaphthalen-1-yl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126153184
N-(4-ethoxyphenyl)-2-[(4R)-5-oxo-1-phenyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 41222162
N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 3740688
2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18891962
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3458943
2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4030854

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide (CID 18891991) is N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide is CCOc1ccc(NC(=O)CC2SC(=S)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is WYAYPZNKSWDSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-2-26-17-10-8-16(9-11-17)22-19(24)14-18-20(25)23(21(27)28-18)13-12-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 18891991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).