4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide

C15H15N3O2S — CID 4980480

IUPAC4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2ccsc2)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-14(19)17-13-5-3-12(4-6-13)15(20)18-16-9-11-7-8-21-10-11/h3-10H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyDQNWHIXHGIGPFI-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.86
Rot. Bonds5

About 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide

4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide (PubChem CID 4980480) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
PubChem CID4980480
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2ccsc2)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-14(19)17-13-5-3-12(4-6-13)15(20)18-16-9-11-7-8-21-10-11/h3-10H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyDQNWHIXHGIGPFI-UHFFFAOYSA-N
XLogP2.86
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
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

4-(2-methylpropanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980551
4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
CID 5155397
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6875653
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
N-(thiophen-3-ylmethylideneamino)decanamide
CID 4640197
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 1010292

Frequently Asked Questions

What is the IUPAC name of 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide?
The IUPAC name of 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide (CID 4980480) is 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide?
The canonical SMILES for 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide is CCC(=O)Nc1ccc(C(=O)NN=Cc2ccsc2)cc1.
What is the InChIKey of 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide?
The InChIKey is DQNWHIXHGIGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-14(19)17-13-5-3-12(4-6-13)15(20)18-16-9-11-7-8-21-10-11/h3-10H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide?
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide has a molecular weight of 301.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide is sourced from PubChem (CID 4980480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).