(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide

C17H13NOS — CID 2423036

IUPAC(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc2sccc2c1
InChIInChI=1S/C17H13NOS/c19-17(9-6-13-4-2-1-3-5-13)18-15-7-8-16-14(12-15)10-11-20-16/h1-12H,(H,18,19)/b9-6+
InChIKeyAMYNPUNFRPFBFD-RMKNXTFCSA-N
MW279.36 g/mol
LogP4.55
Rot. Bonds3

About (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide

(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide (PubChem CID 2423036) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide
PubChem CID2423036
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc2sccc2c1
InChIInChI=1S/C17H13NOS/c19-17(9-6-13-4-2-1-3-5-13)18-15-7-8-16-14(12-15)10-11-20-16/h1-12H,(H,18,19)/b9-6+
InChIKeyAMYNPUNFRPFBFD-RMKNXTFCSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.55
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

(E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide
CID 55477748
N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
CID 3632850
N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine
CID 77070203
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
(2R)-2-amino-N-(1-benzothiophen-5-yl)-2-phenylacetamide
CID 61179816
(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide
CID 114259316
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 715676
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide (CID 2423036) is (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc2sccc2c1.
What is the InChIKey of (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide?
The InChIKey is AMYNPUNFRPFBFD-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H13NOS/c19-17(9-6-13-4-2-1-3-5-13)18-15-7-8-16-14(12-15)10-11-20-16/h1-12H,(H,18,19)/b9-6+.
What are the key properties of (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide?
(E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide has a molecular weight of 279.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzothiophen-5-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 2423036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).