3-anilino-N-phenyl-3-sulfanylidenepropanamide

C15H14N2OS — CID 2771545

IUPAC3-anilino-N-phenyl-3-sulfanylidenepropanamide
SMILESO=C(CC(=S)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H14N2OS/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)
InChIKeyGHKCCINELGKJJE-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.45
Rot. Bonds4

About 3-anilino-N-phenyl-3-sulfanylidenepropanamide

3-anilino-N-phenyl-3-sulfanylidenepropanamide (PubChem CID 2771545) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-anilino-N-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-anilino-N-phenyl-3-sulfanylidenepropanamide
PubChem CID2771545
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-anilino-N-phenyl-3-sulfanylidenepropanamide
SMILESO=C(CC(=S)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H14N2OS/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)
InChIKeyGHKCCINELGKJJE-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-phenylbutanamide
CID 161275903
N'-hydroxy-N-phenylpropanediamide
CID 20721653
3-fluoro-N-phenylpropanamide
CID 70366284
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
4-anilino-4-sulfanylidenebutanamide
CID 140968084
(2-anilino-2-oxoethyl)sulfanium
CID 153278909
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
4-chloro-3-oxo-N-phenylbutanamide;hydrochloride
CID 172827163
ethane;methane;N-phenylpropanamide
CID 159778408
3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid
CID 20978380
4-hydroxy-3-oxo-N-phenylpentanamide
CID 163189970

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-anilino-N-phenyl-3-sulfanylidenepropanamide (CID 2771545) is 3-anilino-N-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-anilino-N-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-anilino-N-phenyl-3-sulfanylidenepropanamide is O=C(CC(=S)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 3-anilino-N-phenyl-3-sulfanylidenepropanamide?
The InChIKey is GHKCCINELGKJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19).
What are the key properties of 3-anilino-N-phenyl-3-sulfanylidenepropanamide?
3-anilino-N-phenyl-3-sulfanylidenepropanamide has a molecular weight of 270.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 2771545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).