(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide

C16H15NO2S — CID 9453588

IUPAC(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/Sc1ccccc1
InChIInChI=1S/C16H15NO2S/c1-19-15-10-6-5-9-14(15)17-16(18)11-12-20-13-7-3-2-4-8-13/h2-12H,1H3,(H,17,18)/b12-11+
InChIKeyRENDQDGPOLVOGY-VAWYXSNFSA-N
MW285.37 g/mol
LogP3.94
Rot. Bonds5

About (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide

(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide (PubChem CID 9453588) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
PubChem CID9453588
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/Sc1ccccc1
InChIInChI=1S/C16H15NO2S/c1-19-15-10-6-5-9-14(15)17-16(18)11-12-20-13-7-3-2-4-8-13/h2-12H,1H3,(H,17,18)/b12-11+
InChIKeyRENDQDGPOLVOGY-VAWYXSNFSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide
CID 9083670
(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
CID 9073408
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837
(E)-N-(2,3-dimethylphenyl)-3-phenylsulfanylprop-2-enamide
CID 9069905
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
2-imino-N-(2-methoxyphenyl)acetamide
CID 145295181
methyl 4-methyl-3-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzoate
CID 9088297
N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
N-(2-methoxyphenyl)-6-phenylhex-2-enamide
CID 67977589
(E)-3-phenylsulfanyl-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 67997746
N-(2-methoxyphenyl)-3-oxo-2,2-bis(phenylsulfanyl)butanamide
CID 20530108

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide (CID 9453588) is (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide is COc1ccccc1NC(=O)/C=C/Sc1ccccc1.
What is the InChIKey of (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide?
The InChIKey is RENDQDGPOLVOGY-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-19-15-10-6-5-9-14(15)17-16(18)11-12-20-13-7-3-2-4-8-13/h2-12H,1H3,(H,17,18)/b12-11+.
What are the key properties of (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide?
(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide has a molecular weight of 285.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 9453588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).