N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide

C16H19N3OS — CID 5402047

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H19N3OS/c1-3-19(4-2)14-9-7-13(8-10-14)12-17-18-16(20)15-6-5-11-21-15/h5-12H,3-4H2,1-2H3,(H,18,20)/b17-12-
InChIKeyIUMACPQCCWMGQN-ATVHPVEESA-N
MW301.42 g/mol
LogP3.36
Rot. Bonds6

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide (PubChem CID 5402047) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
PubChem CID5402047
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H19N3OS/c1-3-19(4-2)14-9-7-13(8-10-14)12-17-18-16(20)15-6-5-11-21-15/h5-12H,3-4H2,1-2H3,(H,18,20)/b17-12-
InChIKeyIUMACPQCCWMGQN-ATVHPVEESA-N
XLogP3.36
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 1215797
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6904011
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 5426374
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 6869036
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide (CID 5402047) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is IUMACPQCCWMGQN-ATVHPVEESA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-19(4-2)14-9-7-13(8-10-14)12-17-18-16(20)15-6-5-11-21-15/h5-12H,3-4H2,1-2H3,(H,18,20)/b17-12-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 5402047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).