3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide

C16H17N3OS — CID 62876524

IUPAC3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
SMILESNC(=S)C(C(=O)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H17N3OS/c17-15(21)14(12-6-2-1-3-7-12)16(20)19-11-9-13-8-4-5-10-18-13/h1-8,10,14H,9,11H2,(H2,17,21)(H,19,20)
InChIKeyUGDKMGUHLFBDKQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.81
Rot. Bonds6

About 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide

3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide (PubChem CID 62876524) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
PubChem CID62876524
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
SMILESNC(=S)C(C(=O)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H17N3OS/c17-15(21)14(12-6-2-1-3-7-12)16(20)19-11-9-13-8-4-5-10-18-13/h1-8,10,14H,9,11H2,(H2,17,21)(H,19,20)
InChIKeyUGDKMGUHLFBDKQ-UHFFFAOYSA-N
XLogP1.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-phenyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 53493076
3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 76975364
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide (CID 62876524) is 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide is NC(=S)C(C(=O)NCCc1ccccn1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide?
The InChIKey is UGDKMGUHLFBDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-15(21)14(12-6-2-1-3-7-12)16(20)19-11-9-13-8-4-5-10-18-13/h1-8,10,14H,9,11H2,(H2,17,21)(H,19,20).
What are the key properties of 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide?
3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide has a molecular weight of 299.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 62876524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).