N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide

C15H16N2O3S — CID 135614713

IUPACN-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C15H16N2O3S/c1-2-7-20-12-6-5-11(13(18)9-12)10-16-17-15(19)14-4-3-8-21-14/h3-6,8-10,18H,2,7H2,1H3,(H,17,19)/b16-10+
InChIKeySERXEXFWULJAFY-MHWRWJLKSA-N
MW304.37 g/mol
LogP3.01
Rot. Bonds6

About N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 135614713) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID135614713
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C15H16N2O3S/c1-2-7-20-12-6-5-11(13(18)9-12)10-16-17-15(19)14-4-3-8-21-14/h3-6,8-10,18H,2,7H2,1H3,(H,17,19)/b16-10+
InChIKeySERXEXFWULJAFY-MHWRWJLKSA-N
XLogP3.01
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643465
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591232
(5S)-N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 135848948
(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
CID 5151105
N-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 2368103
N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 6031492
1-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135717529
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide
CID 135884871
1-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 4573114
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473
N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 50929991
1-ethyl-N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 135716156

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 135614713) is N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide is CCCOc1ccc(/C=N/NC(=O)c2cccs2)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is SERXEXFWULJAFY-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-7-20-12-6-5-11(13(18)9-12)10-16-17-15(19)14-4-3-8-21-14/h3-6,8-10,18H,2,7H2,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135614713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).