4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide

C18H18N2O2S — CID 7509862

IUPAC4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSC/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2S/c19-18(22)15-8-10-16(11-9-15)20-17(21)13-23-12-4-7-14-5-2-1-3-6-14/h1-11H,12-13H2,(H2,19,22)(H,20,21)/b7-4+
InChIKeyWNNKVVRPYMSWIV-QPJJXVBHSA-N
MW326.42 g/mol
LogP3.17
Rot. Bonds7

About 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide

4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide (PubChem CID 7509862) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide
PubChem CID7509862
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CSC/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2S/c19-18(22)15-8-10-16(11-9-15)20-17(21)13-23-12-4-7-14-5-2-1-3-6-14/h1-11H,12-13H2,(H2,19,22)(H,20,21)/b7-4+
InChIKeyWNNKVVRPYMSWIV-QPJJXVBHSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 2118628
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CID 4834495
S-[2-(4-carbamoylanilino)-2-oxoethyl] benzenecarbothioate
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2-[(E)-3-phenylprop-2-enyl]sulfanylacetic acid
CID 23172742
4-[[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzamide
CID 18901930
4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
CID 9441769
4-[[2-[(1S)-1-phenylethyl]sulfanylacetyl]amino]benzamide
CID 7509866
ethyl 2-[(E)-3-phenylprop-2-enyl]sulfanylacetate
CID 12522446
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
1-phenyl-3-(3-phenylprop-2-enyl)urea
CID 67941809

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide (CID 7509862) is 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CSC/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide?
The InChIKey is WNNKVVRPYMSWIV-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H18N2O2S/c19-18(22)15-8-10-16(11-9-15)20-17(21)13-23-12-4-7-14-5-2-1-3-6-14/h1-11H,12-13H2,(H2,19,22)(H,20,21)/b7-4+.
What are the key properties of 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide?
4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide has a molecular weight of 326.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 7509862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).