N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide

C14H14N2O2S — CID 951050

IUPACN-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
SMILESCCC(=NNC(=O)c1cccs1)c1ccc(O)cc1
InChIInChI=1S/C14H14N2O2S/c1-2-12(10-5-7-11(17)8-6-10)15-16-14(18)13-4-3-9-19-13/h3-9,17H,2H2,1H3,(H,16,18)
InChIKeyRXYPPIDPCJXPJX-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.00
Rot. Bonds4

About N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide

N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide (PubChem CID 951050) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
PubChem CID951050
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
SMILESCCC(=NNC(=O)c1cccs1)c1ccc(O)cc1
InChIInChI=1S/C14H14N2O2S/c1-2-12(10-5-7-11(17)8-6-10)15-16-14(18)13-4-3-9-19-13/h3-9,17H,2H2,1H3,(H,16,18)
InChIKeyRXYPPIDPCJXPJX-UHFFFAOYSA-N
XLogP3.00
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4298296
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
CID 135771089
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
CID 4645851
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide (CID 951050) is N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide is CCC(=NNC(=O)c1cccs1)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide?
The InChIKey is RXYPPIDPCJXPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-12(10-5-7-11(17)8-6-10)15-16-14(18)13-4-3-9-19-13/h3-9,17H,2H2,1H3,(H,16,18).
What are the key properties of N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide?
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 951050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).