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

C23H23NO3S — CID 8700034

IUPAC(E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N(Cc2cccs2)Cc2ccccc2OC)c1
InChIInChI=1S/C23H23NO3S/c1-26-20-9-5-7-18(15-20)12-13-23(25)24(17-21-10-6-14-28-21)16-19-8-3-4-11-22(19)27-2/h3-15H,16-17H2,1-2H3/b13-12+
InChIKeyARFYMDJGLATEFY-OUKQBFOZSA-N
MW393.51 g/mol
LogP5.01
Rot. Bonds8

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

(E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 8700034) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID8700034
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N(Cc2cccs2)Cc2ccccc2OC)c1
InChIInChI=1S/C23H23NO3S/c1-26-20-9-5-7-18(15-20)12-13-23(25)24(17-21-10-6-14-28-21)16-19-8-3-4-11-22(19)27-2/h3-15H,16-17H2,1-2H3/b13-12+
InChIKeyARFYMDJGLATEFY-OUKQBFOZSA-N
XLogP5.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 26905554
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
(E)-N-[(2-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55498850
(E)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 9168429
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 112795029
(E)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51189835

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 8700034) is (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide is COc1cccc(/C=C/C(=O)N(Cc2cccs2)Cc2ccccc2OC)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is ARFYMDJGLATEFY-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-26-20-9-5-7-18(15-20)12-13-23(25)24(17-21-10-6-14-28-21)16-19-8-3-4-11-22(19)27-2/h3-15H,16-17H2,1-2H3/b13-12+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 393.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 8700034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).