(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide

C15H15NO2S — CID 9114802

IUPAC(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C=C/c1ccsc1
InChIInChI=1S/C15H15NO2S/c1-18-14-5-3-2-4-13(14)10-16-15(17)7-6-12-8-9-19-11-12/h2-9,11H,10H2,1H3,(H,16,17)/b7-6+
InChIKeyIKASMRLFSLDXNE-VOTSOKGWSA-N
MW273.36 g/mol
LogP3.09
Rot. Bonds5

About (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 9114802) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID9114802
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C=C/c1ccsc1
InChIInChI=1S/C15H15NO2S/c1-18-14-5-3-2-4-13(14)10-16-15(17)7-6-12-8-9-19-11-12/h2-9,11H,10H2,1H3,(H,16,17)/b7-6+
InChIKeyIKASMRLFSLDXNE-VOTSOKGWSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.09
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-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
(Z)-4-[(2-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
CID 45100336
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
N-[(2-methoxyphenyl)methyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 74509472
(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 71810505
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
(Z)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129421507
(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 27017551
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 8869884
(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
CID 46590717

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide (CID 9114802) is (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide is COc1ccccc1CNC(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is IKASMRLFSLDXNE-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-14-5-3-2-4-13(14)10-16-15(17)7-6-12-8-9-19-11-12/h2-9,11H,10H2,1H3,(H,16,17)/b7-6+.
What are the key properties of (E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 273.36 g/mol, XLogP of 3.09, 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)methyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 9114802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).