3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide

C15H18N2O2S — CID 920758

IUPAC3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC(=S)N2CCCC2)cc1
InChIInChI=1S/C15H18N2O2S/c1-19-13-7-4-12(5-8-13)6-9-14(18)16-15(20)17-10-2-3-11-17/h4-9H,2-3,10-11H2,1H3,(H,16,18,20)
InChIKeySRGJYPAXETWQMP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.21
Rot. Bonds3

About 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide

3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide (PubChem CID 920758) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide
PubChem CID920758
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NC(=S)N2CCCC2)cc1
InChIInChI=1S/C15H18N2O2S/c1-19-13-7-4-12(5-8-13)6-9-14(18)16-15(20)17-10-2-3-11-17/h4-9H,2-3,10-11H2,1H3,(H,16,18,20)
InChIKeySRGJYPAXETWQMP-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)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-(azepane-1-carbothioyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227391
3-(4-methylphenyl)-N-(piperidine-1-carbothioyl)prop-2-enamide
CID 922810
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 6234009
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
(E)-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 17102891
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-(azepane-1-carbothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 927039
(Z)-3-(3,4-dimethoxyphenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide
CID 93045933
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
N-(4-methylpiperazine-1-carbothioyl)-3-phenylprop-2-enamide
CID 4778588
(E)-N-(diethylcarbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6276098

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide (CID 920758) is 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide is COc1ccc(C=CC(=O)NC(=S)N2CCCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide?
The InChIKey is SRGJYPAXETWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-13-7-4-12(5-8-13)6-9-14(18)16-15(20)17-10-2-3-11-17/h4-9H,2-3,10-11H2,1H3,(H,16,18,20).
What are the key properties of 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide?
3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide has a molecular weight of 290.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(pyrrolidine-1-carbothioyl)prop-2-enamide is sourced from PubChem (CID 920758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).