N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide

C14H15N3O2S — CID 76938616

IUPACN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
SMILESNC(Cc1ccc(NC(=O)Cc2cccs2)cc1)=NO
InChIInChI=1S/C14H15N3O2S/c15-13(17-19)8-10-3-5-11(6-4-10)16-14(18)9-12-2-1-7-20-12/h1-7,19H,8-9H2,(H2,15,17)(H,16,18)
InChIKeyXUUUPCRPYZICOF-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.22
Rot. Bonds5

About N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 76938616) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID76938616
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
SMILESNC(Cc1ccc(NC(=O)Cc2cccs2)cc1)=NO
InChIInChI=1S/C14H15N3O2S/c15-13(17-19)8-10-3-5-11(6-4-10)16-14(18)9-12-2-1-7-20-12/h1-7,19H,8-9H2,(H2,15,17)(H,16,18)
InChIKeyXUUUPCRPYZICOF-UHFFFAOYSA-N
XLogP2.22
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-2-thiophen-2-ylacetamide
CID 76939500
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43175462
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide
CID 25030228
2-thiophen-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 36516876
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-[4-[2-hydroxy-2-(2-methylidene-4-oxooxolan-3-ylidene)ethyl]phenyl]-2-thiophen-2-ylacetamide
CID 173496052
[2-(4-ethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799264
N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide
CID 112981528

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide (CID 76938616) is N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide is NC(Cc1ccc(NC(=O)Cc2cccs2)cc1)=NO.
What is the InChIKey of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is XUUUPCRPYZICOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-13(17-19)8-10-3-5-11(6-4-10)16-14(18)9-12-2-1-7-20-12/h1-7,19H,8-9H2,(H2,15,17)(H,16,18).
What are the key properties of N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 289.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 76938616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).