N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide

C19H17NO4S — CID 173496052

IUPACN-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide
SMILESC=C1OCC(=O)C1=C(O)Cc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C19H17NO4S/c1-12-19(17(22)11-24-12)16(21)9-13-4-6-14(7-5-13)20-18(23)10-15-3-2-8-25-15/h2-8,21H,1,9-11H2,(H,20,23)
InChIKeyXPIABMHWLMFEQC-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.40
Rot. Bonds5

About N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 173496052) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID173496052
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC NameN-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide
SMILESC=C1OCC(=O)C1=C(O)Cc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C19H17NO4S/c1-12-19(17(22)11-24-12)16(21)9-13-4-6-14(7-5-13)20-18(23)10-15-3-2-8-25-15/h2-8,21H,1,9-11H2,(H,20,23)
InChIKeyXPIABMHWLMFEQC-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
CID 76938616
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
CID 566349
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
CID 112981805
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
2-thiophen-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 36516876
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
CID 56774607

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide (CID 173496052) is N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide is C=C1OCC(=O)C1=C(O)Cc1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is XPIABMHWLMFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-12-19(17(22)11-24-12)16(21)9-13-4-6-14(7-5-13)20-18(23)10-15-3-2-8-25-15/h2-8,21H,1,9-11H2,(H,20,23).
What are the key properties of N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 355.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 173496052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).