5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one

C18H19NO2S — CID 4915811

IUPAC5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one
SMILESCOc1cccc(C2CC(=O)C=C(NCc3cccs3)C2)c1
InChIInChI=1S/C18H19NO2S/c1-21-17-5-2-4-13(10-17)14-8-15(11-16(20)9-14)19-12-18-6-3-7-22-18/h2-7,10-11,14,19H,8-9,12H2,1H3
InChIKeyGCBOWMWYJYOENW-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.88
Rot. Bonds5

About 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one

5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one (PubChem CID 4915811) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one
PubChem CID4915811
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one
SMILESCOc1cccc(C2CC(=O)C=C(NCc3cccs3)C2)c1
InChIInChI=1S/C18H19NO2S/c1-21-17-5-2-4-13(10-17)14-8-15(11-16(20)9-14)19-12-18-6-3-7-22-18/h2-7,10-11,14,19H,8-9,12H2,1H3
InChIKeyGCBOWMWYJYOENW-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one 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

5-[4-(dimethylamino)phenyl]-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one
CID 2742066
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 3538320
(5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 718834
3-hydroxy-5-(3-methoxyphenyl)cyclohex-2-en-1-one;hydrate
CID 170922658
1-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215180
3-(2,5-dimethoxyanilino)-5-phenylcyclohex-2-en-1-one
CID 3975103
2-(3-methoxyphenyl)-2,3-dihydropyran-4-one
CID 11287173
1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546
4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634528
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28668693
methyl 7-(3-methoxyphenyl)-2-methylidene-5-oxo-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4057073

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one?
The IUPAC name of 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one (CID 4915811) is 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one is COc1cccc(C2CC(=O)C=C(NCc3cccs3)C2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one?
The InChIKey is GCBOWMWYJYOENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-21-17-5-2-4-13(10-17)14-8-15(11-16(20)9-14)19-12-18-6-3-7-22-18/h2-7,10-11,14,19H,8-9,12H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one?
5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one has a molecular weight of 313.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-(thiophen-2-ylmethylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 4915811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).