(E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide

C20H19NO4S — CID 119101802

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2ccc(-c3cccs3)o2)cc1OC
InChIInChI=1S/C20H19NO4S/c1-23-16-8-5-14(12-18(16)24-2)6-10-20(22)21-13-15-7-9-17(25-15)19-4-3-11-26-19/h3-12H,13H2,1-2H3,(H,21,22)/b10-6+
InChIKeyNFMGXHHIKQQARB-UXBLZVDNSA-N
MW369.44 g/mol
LogP4.35
Rot. Bonds7

About (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide (PubChem CID 119101802) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide
PubChem CID119101802
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2ccc(-c3cccs3)o2)cc1OC
InChIInChI=1S/C20H19NO4S/c1-23-16-8-5-14(12-18(16)24-2)6-10-20(22)21-13-15-7-9-17(25-15)19-4-3-11-26-19/h3-12H,13H2,1-2H3,(H,21,22)/b10-6+
InChIKeyNFMGXHHIKQQARB-UXBLZVDNSA-N
XLogP4.35
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.35
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-(3,4-dimethoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
CID 121131727
(E)-3-(3-methoxy-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 29437112
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 59736742
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 108753135
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264568
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 9034480
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 5207843

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide (CID 119101802) is (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2ccc(-c3cccs3)o2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide?
The InChIKey is NFMGXHHIKQQARB-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-23-16-8-5-14(12-18(16)24-2)6-10-20(22)21-13-15-7-9-17(25-15)19-4-3-11-26-19/h3-12H,13H2,1-2H3,(H,21,22)/b10-6+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide has a molecular weight of 369.44 g/mol, XLogP of 4.35, 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-[(5-thiophen-2-ylfuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 119101802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).