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

C15H18N2O3S2 — CID 18892036

IUPACN-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCOc1ccccc1NC(=O)CC1SC(=S)N(C(C)C)C1=O
InChIInChI=1S/C15H18N2O3S2/c1-9(2)17-14(19)12(22-15(17)21)8-13(18)16-10-6-4-5-7-11(10)20-3/h4-7,9,12H,8H2,1-3H3,(H,16,18)
InChIKeySKABTNCKWUJPPO-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.66
Rot. Bonds5

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

N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (PubChem CID 18892036) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
PubChem CID18892036
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCOc1ccccc1NC(=O)CC1SC(=S)N(C(C)C)C1=O
InChIInChI=1S/C15H18N2O3S2/c1-9(2)17-14(19)12(22-15(17)21)8-13(18)16-10-6-4-5-7-11(10)20-3/h4-7,9,12H,8H2,1-3H3,(H,16,18)
InChIKeySKABTNCKWUJPPO-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.66
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

N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220287
N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892038
2-[(5S)-3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42426615
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 7318576
ethyl 2-[[2-[3-(2-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 18892070
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(2-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264873
N-(2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 8716052
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-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 41135445
2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 12562599
2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide
CID 35921740

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (CID 18892036) is N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is COc1ccccc1NC(=O)CC1SC(=S)N(C(C)C)C1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is SKABTNCKWUJPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-9(2)17-14(19)12(22-15(17)21)8-13(18)16-10-6-4-5-7-11(10)20-3/h4-7,9,12H,8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 18892036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).