4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide

C16H18N2O2S — CID 5403292

IUPAC4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide
SMILESCOc1ccc(CCCC(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-14-9-7-13(8-10-14)4-2-6-16(19)18-17-12-15-5-3-11-21-15/h3,5,7-12H,2,4,6H2,1H3,(H,18,19)/b17-12-
InChIKeyNTGPPPZDXSZYGV-ATVHPVEESA-N
MW302.40 g/mol
LogP3.23
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide

4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide (PubChem CID 5403292) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide
PubChem CID5403292
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide
SMILESCOc1ccc(CCCC(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-14-9-7-13(8-10-14)4-2-6-16(19)18-17-12-15-5-3-11-21-15/h3,5,7-12H,2,4,6H2,1H3,(H,18,19)/b17-12-
InChIKeyNTGPPPZDXSZYGV-ATVHPVEESA-N
XLogP3.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide (CID 5403292) is 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide is COc1ccc(CCCC(=O)N/N=C\c2cccs2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide?
The InChIKey is NTGPPPZDXSZYGV-ATVHPVEESA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-14-9-7-13(8-10-14)4-2-6-16(19)18-17-12-15-5-3-11-21-15/h3,5,7-12H,2,4,6H2,1H3,(H,18,19)/b17-12-.
What are the key properties of 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide?
4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide has a molecular weight of 302.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide is sourced from PubChem (CID 5403292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).