(E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide

C20H23NO3S — CID 73168529

IUPAC(E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
SMILESCOc1cccc(C(CNC(=O)/C=C/c2ccc(SC)cc2)OC)c1
InChIInChI=1S/C20H23NO3S/c1-23-17-6-4-5-16(13-17)19(24-2)14-21-20(22)12-9-15-7-10-18(25-3)11-8-15/h4-13,19H,14H2,1-3H3,(H,21,22)/b12-9+
InChIKeyWXLJRYHESONSOZ-FMIVXFBMSA-N
MW357.48 g/mol
LogP3.93
Rot. Bonds8

About (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide

(E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide (PubChem CID 73168529) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
PubChem CID73168529
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name(E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
SMILESCOc1cccc(C(CNC(=O)/C=C/c2ccc(SC)cc2)OC)c1
InChIInChI=1S/C20H23NO3S/c1-23-17-6-4-5-16(13-17)19(24-2)14-21-20(22)12-9-15-7-10-18(25-3)11-8-15/h4-13,19H,14H2,1-3H3,(H,21,22)/b12-9+
InChIKeyWXLJRYHESONSOZ-FMIVXFBMSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
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-(4-hydroxyphenyl)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 11186462
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
(E)-3-(3,4-dihydroxyphenyl)-N-[(2S)-2-methoxy-2-phenylethyl]prop-2-enamide
CID 11449811
(E)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 11267400
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664
(E)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 11223344
(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 98439360
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623549
4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
N'-cyclopropyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168551

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide (CID 73168529) is (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide is COc1cccc(C(CNC(=O)/C=C/c2ccc(SC)cc2)OC)c1.
What is the InChIKey of (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide?
The InChIKey is WXLJRYHESONSOZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-23-17-6-4-5-16(13-17)19(24-2)14-21-20(22)12-9-15-7-10-18(25-3)11-8-15/h4-13,19H,14H2,1-3H3,(H,21,22)/b12-9+.
What are the key properties of (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide?
(E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide has a molecular weight of 357.48 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 73168529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).