N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide

C16H20N2O2S2 — CID 18892038

IUPACN-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCCc1ccc(NC(=O)CC2SC(=S)N(C(C)C)C2=O)cc1
InChIInChI=1S/C16H20N2O2S2/c1-4-11-5-7-12(8-6-11)17-14(19)9-13-15(20)18(10(2)3)16(21)22-13/h5-8,10,13H,4,9H2,1-3H3,(H,17,19)
InChIKeyNIXNKVDAOGXNOP-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.21
Rot. Bonds5

About N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide

N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (PubChem CID 18892038) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
PubChem CID18892038
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCCc1ccc(NC(=O)CC2SC(=S)N(C(C)C)C2=O)cc1
InChIInChI=1S/C16H20N2O2S2/c1-4-11-5-7-12(8-6-11)17-14(19)9-13-15(20)18(10(2)3)16(21)22-13/h5-8,10,13H,4,9H2,1-3H3,(H,17,19)
InChIKeyNIXNKVDAOGXNOP-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892036
2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 12562599
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 18892023
4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)butanamide
CID 17033900
N-(4-methylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 6914760
N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 3591293
N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4001896
2-[(5R)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41282046
N-(4-ethylphenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 4311304
2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 99806121
N-(4-ethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034025
2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
CID 21368913

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (CID 18892038) is N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is CCc1ccc(NC(=O)CC2SC(=S)N(C(C)C)C2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is NIXNKVDAOGXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-4-11-5-7-12(8-6-11)17-14(19)9-13-15(20)18(10(2)3)16(21)22-13/h5-8,10,13H,4,9H2,1-3H3,(H,17,19).
What are the key properties of N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 336.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 18892038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).