(E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide

C20H19NO2S — CID 26310956

IUPAC(E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
SMILESCOc1ccc2cc(/C=C/C(=O)N[C@H](C)c3cccs3)ccc2c1
InChIInChI=1S/C20H19NO2S/c1-14(19-4-3-11-24-19)21-20(22)10-6-15-5-7-17-13-18(23-2)9-8-16(17)12-15/h3-14H,1-2H3,(H,21,22)/b10-6+/t14-/m1/s1
InChIKeyIGRQZYZRTFOHSI-OAUONFCTSA-N
MW337.44 g/mol
LogP4.80
Rot. Bonds5

About (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide

(E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide (PubChem CID 26310956) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
PubChem CID26310956
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name(E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
SMILESCOc1ccc2cc(/C=C/C(=O)N[C@H](C)c3cccs3)ccc2c1
InChIInChI=1S/C20H19NO2S/c1-14(19-4-3-11-24-19)21-20(22)10-6-15-5-7-17-13-18(23-2)9-8-16(17)12-15/h3-14H,1-2H3,(H,21,22)/b10-6+/t14-/m1/s1
InChIKeyIGRQZYZRTFOHSI-OAUONFCTSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
CID 81409323
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 46449714
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide
CID 55923389
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide (CID 26310956) is (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide is COc1ccc2cc(/C=C/C(=O)N[C@H](C)c3cccs3)ccc2c1.
What is the InChIKey of (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide?
The InChIKey is IGRQZYZRTFOHSI-OAUONFCTSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14(19-4-3-11-24-19)21-20(22)10-6-15-5-7-17-13-18(23-2)9-8-16(17)12-15/h3-14H,1-2H3,(H,21,22)/b10-6+/t14-/m1/s1.
What are the key properties of (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide?
(E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide has a molecular weight of 337.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide is sourced from PubChem (CID 26310956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).