(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide

C20H19NO3S2 — CID 119104226

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(c2ccsc2)c2cccs2)cc1OC
InChIInChI=1S/C20H19NO3S2/c1-23-16-7-5-14(12-17(16)24-2)6-8-19(22)21-20(15-9-11-25-13-15)18-4-3-10-26-18/h3-13,20H,1-2H3,(H,21,22)/b8-6+
InChIKeyHVSMENMOIRDPET-SOFGYWHQSA-N
MW385.51 g/mol
LogP4.75
Rot. Bonds7

About (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide (PubChem CID 119104226) has the molecular formula C20H19NO3S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
PubChem CID119104226
Molecular FormulaC20H19NO3S2
Molecular Weight385.51 g/mol
Exact Mass385.08
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(c2ccsc2)c2cccs2)cc1OC
InChIInChI=1S/C20H19NO3S2/c1-23-16-7-5-14(12-17(16)24-2)6-8-19(22)21-20(15-9-11-25-13-15)18-4-3-10-26-18/h3-13,20H,1-2H3,(H,21,22)/b8-6+
InChIKeyHVSMENMOIRDPET-SOFGYWHQSA-N
XLogP4.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]prop-2-enamide
CID 40984860
(E)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 46565175
3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
CID 171130654
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 119104238
2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354524
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(E)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 46565118
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 5207843
(E)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46565152
4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 121021382

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide (CID 119104226) is (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NC(c2ccsc2)c2cccs2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide?
The InChIKey is HVSMENMOIRDPET-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H19NO3S2/c1-23-16-7-5-14(12-17(16)24-2)6-8-19(22)21-20(15-9-11-25-13-15)18-4-3-10-26-18/h3-13,20H,1-2H3,(H,21,22)/b8-6+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide has a molecular weight of 385.51 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 119104226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).