3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide

C15H16N2OS2 — CID 3828723

IUPAC3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide
SMILESCC(=NNC(=O)CCSc1ccccc1)c1cccs1
InChIInChI=1S/C15H16N2OS2/c1-12(14-8-5-10-20-14)16-17-15(18)9-11-19-13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3,(H,17,18)
InChIKeyATFLUHMYMYADQY-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.77
Rot. Bonds6

About 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide

3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide (PubChem CID 3828723) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide
PubChem CID3828723
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide
SMILESCC(=NNC(=O)CCSc1ccccc1)c1cccs1
InChIInChI=1S/C15H16N2OS2/c1-12(14-8-5-10-20-14)16-17-15(18)9-11-19-13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3,(H,17,18)
InChIKeyATFLUHMYMYADQY-UHFFFAOYSA-N
XLogP3.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.77
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,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
N',N'-diphenyl-N-(1-thiophen-2-ylethylideneamino)butanediamide
CID 3886917
N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389
4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 95180952
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide
CID 94837920
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030
3-(benzotriazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 742351
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126263054

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide?
The IUPAC name of 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide (CID 3828723) is 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide is CC(=NNC(=O)CCSc1ccccc1)c1cccs1.
What is the InChIKey of 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide?
The InChIKey is ATFLUHMYMYADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-12(14-8-5-10-20-14)16-17-15(18)9-11-19-13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3,(H,17,18).
What are the key properties of 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide?
3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide has a molecular weight of 304.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide is sourced from PubChem (CID 3828723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).