(E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide

C15H13NO2S — CID 70155675

IUPAC(E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(=O)Cc1cccs1
InChIInChI=1S/C15H13NO2S/c17-14(9-8-12-5-2-1-3-6-12)16-15(18)11-13-7-4-10-19-13/h1-10H,11H2,(H,16,17,18)/b9-8+
InChIKeyGMEAPGKJVXRTRO-CMDGGOBGSA-N
MW271.34 g/mol
LogP2.65
Rot. Bonds4

About (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide

(E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide (PubChem CID 70155675) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide
PubChem CID70155675
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(=O)Cc1cccs1
InChIInChI=1S/C15H13NO2S/c17-14(9-8-12-5-2-1-3-6-12)16-15(18)11-13-7-4-10-19-13/h1-10H,11H2,(H,16,17,18)/b9-8+
InChIKeyGMEAPGKJVXRTRO-CMDGGOBGSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.65
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

[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-3-(4-methylsulfanylphenyl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
CID 86897702
(E)-N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 71696204
3-oxo-N-[(E)-3-phenylprop-2-enoyl]butanamide
CID 12682099
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
CID 70157750
3-[3-fluoro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 76907775
3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
CID 72688726
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide (CID 70155675) is (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide is O=C(/C=C/c1ccccc1)NC(=O)Cc1cccs1.
What is the InChIKey of (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide?
The InChIKey is GMEAPGKJVXRTRO-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-14(9-8-12-5-2-1-3-6-12)16-15(18)11-13-7-4-10-19-13/h1-10H,11H2,(H,16,17,18)/b9-8+.
What are the key properties of (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide?
(E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide has a molecular weight of 271.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(2-thiophen-2-ylacetyl)prop-2-enamide is sourced from PubChem (CID 70155675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).