2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide

C15H16N2O2S — CID 4931437

IUPAC2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESCCCOc1ccccc1C(=O)NN=Cc1cccs1
InChIInChI=1S/C15H16N2O2S/c1-2-9-19-14-8-4-3-7-13(14)15(18)17-16-11-12-6-5-10-20-12/h3-8,10-11H,2,9H2,1H3,(H,17,18)
InChIKeyQKWPPHCFDUHMEI-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.30
Rot. Bonds6

About 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide

2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide (PubChem CID 4931437) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
PubChem CID4931437
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
SMILESCCCOc1ccccc1C(=O)NN=Cc1cccs1
InChIInChI=1S/C15H16N2O2S/c1-2-9-19-14-8-4-3-7-13(14)15(18)17-16-11-12-6-5-10-20-12/h3-8,10-11H,2,9H2,1H3,(H,17,18)
InChIKeyQKWPPHCFDUHMEI-UHFFFAOYSA-N
XLogP3.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.30
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

2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
CID 75087531
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46498082
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
N-(2-phenylethylideneamino)-2-propoxybenzamide
CID 4931468
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
2-(2-ethoxyphenoxy)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25249395
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide?
The IUPAC name of 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide (CID 4931437) is 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide?
The canonical SMILES for 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide is CCCOc1ccccc1C(=O)NN=Cc1cccs1.
What is the InChIKey of 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide?
The InChIKey is QKWPPHCFDUHMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-9-19-14-8-4-3-7-13(14)15(18)17-16-11-12-6-5-10-20-12/h3-8,10-11H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide?
2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide has a molecular weight of 288.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 4931437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).