N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide

C17H14N2O3S2 — CID 23884228

IUPACN-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1SC(=S)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C17H14N2O3S2/c20-13-8-6-12(7-9-13)19-16(22)15(24-17(19)23)18-14(21)10-11-4-2-1-3-5-11/h1-9,15,20H,10H2,(H,18,21)
InChIKeyPAJNAODYHZLHQK-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.44
Rot. Bonds4

About N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide

N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide (PubChem CID 23884228) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide
PubChem CID23884228
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC NameN-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1SC(=S)N(c2ccc(O)cc2)C1=O
InChIInChI=1S/C17H14N2O3S2/c20-13-8-6-12(7-9-13)19-16(22)15(24-17(19)23)18-14(21)10-11-4-2-1-3-5-11/h1-9,15,20H,10H2,(H,18,21)
InChIKeyPAJNAODYHZLHQK-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide (CID 23884228) is N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1SC(=S)N(c2ccc(O)cc2)C1=O.
What is the InChIKey of N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide?
The InChIKey is PAJNAODYHZLHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c20-13-8-6-12(7-9-13)19-16(22)15(24-17(19)23)18-14(21)10-11-4-2-1-3-5-11/h1-9,15,20H,10H2,(H,18,21).
What are the key properties of N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide?
N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide has a molecular weight of 358.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide is sourced from PubChem (CID 23884228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).