N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide

C13H12N2O3S — CID 135680361

IUPACN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1cccc(O)c1O
InChIInChI=1S/C13H12N2O3S/c16-11-5-1-3-9(13(11)18)8-14-15-12(17)7-10-4-2-6-19-10/h1-6,8,16,18H,7H2,(H,15,17)/b14-8+
InChIKeyBLPSRWAEGSFDAK-RIYZIHGNSA-N
MW276.32 g/mol
LogP1.85
Rot. Bonds4

About N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 135680361) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID135680361
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1cccc(O)c1O
InChIInChI=1S/C13H12N2O3S/c16-11-5-1-3-9(13(11)18)8-14-15-12(17)7-10-4-2-6-19-10/h1-6,8,16,18H,7H2,(H,15,17)/b14-8+
InChIKeyBLPSRWAEGSFDAK-RIYZIHGNSA-N
XLogP1.85
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(naphthalen-1-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 2064176
N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6893906
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5395244
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 7516704
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 7516719
N-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135684249
N-[(5-bromo-2-fluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 879016
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 171985513
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 135680361) is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C/c1cccc(O)c1O.
What is the InChIKey of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is BLPSRWAEGSFDAK-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-11-5-1-3-9(13(11)18)8-14-15-12(17)7-10-4-2-6-19-10/h1-6,8,16,18H,7H2,(H,15,17)/b14-8+.
What are the key properties of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 276.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 135680361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).