2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide

C19H20N2O3S — CID 17098246

IUPAC2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide
SMILESC=CCOc1ccccc1NC(=S)NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C19H20N2O3S/c1-3-12-24-17-7-5-4-6-16(17)20-19(25)21-18(22)13-14-8-10-15(23-2)11-9-14/h3-11H,1,12-13H2,2H3,(H2,20,21,22,25)
InChIKeyDGJWLJBRONDCGR-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.32
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide

2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide (PubChem CID 17098246) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide
PubChem CID17098246
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide
SMILESC=CCOc1ccccc1NC(=S)NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C19H20N2O3S/c1-3-12-24-17-7-5-4-6-16(17)20-19(25)21-18(22)13-14-8-10-15(23-2)11-9-14/h3-11H,1,12-13H2,2H3,(H2,20,21,22,25)
InChIKeyDGJWLJBRONDCGR-UHFFFAOYSA-N
XLogP3.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097941
2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
CID 17131022
ethyl 4-oxo-4-[(2-prop-2-enoxyphenyl)carbamothioylamino]butanoate
CID 17098272
2-(4-ethylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097965
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833416
N-tert-butyl-2-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]benzamide
CID 4936541
4-chloro-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17098233
(2-prop-2-enoxyphenyl)thiourea
CID 169357900
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151053
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4937998

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide (CID 17098246) is 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide is C=CCOc1ccccc1NC(=S)NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide?
The InChIKey is DGJWLJBRONDCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-12-24-17-7-5-4-6-16(17)20-19(25)21-18(22)13-14-8-10-15(23-2)11-9-14/h3-11H,1,12-13H2,2H3,(H2,20,21,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide?
2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide has a molecular weight of 356.45 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17098246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).