(E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide

C16H15NOS — CID 892945

IUPAC(E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide
SMILESCSc1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C16H15NOS/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18)/b11-10+
InChIKeyCGMYLGJTNSIHMF-ZHACJKMWSA-N
MW269.37 g/mol
LogP4.06
Rot. Bonds4

About (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide

(E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide (PubChem CID 892945) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide
PubChem CID892945
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide
SMILESCSc1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C16H15NOS/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18)/b11-10+
InChIKeyCGMYLGJTNSIHMF-ZHACJKMWSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cinanserin
CID 5475158
Cinnamanilide
CID 690158
Cinanserin Hydrochloride
CID 6433141
2-(benzylthio)-N-phenylacetamide
CID 584914
N-[3-(methylsulfanyl)phenyl]propanamide
CID 837887
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
Stk238931
CID 926198
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
N,3-diphenylacrylamide
CID 95301
N-(4-methylphenyl)-3-phenylacrylamide
CID 787183
N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide (CID 892945) is (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide is CSc1cccc(NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide?
The InChIKey is CGMYLGJTNSIHMF-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15NOS/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18)/b11-10+.
What are the key properties of (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide?
(E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide has a molecular weight of 269.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methylsulfanylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).