N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide

C18H20N2O2S — CID 833540

IUPACN-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCCN(C(=S)NC(=O)Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-3-20(15-7-5-4-6-8-15)18(23)19-17(21)13-14-9-11-16(22-2)12-10-14/h4-12H,3,13H2,1-2H3,(H,19,21,23)
InChIKeyWSSMUOAIMUQSCB-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.17
Rot. Bonds5

About N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide

N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 833540) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
PubChem CID833540
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCCN(C(=S)NC(=O)Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-3-20(15-7-5-4-6-8-15)18(23)19-17(21)13-14-9-11-16(22-2)12-10-14/h4-12H,3,13H2,1-2H3,(H,19,21,23)
InChIKeyWSSMUOAIMUQSCB-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
N-[1-(2,3-Dimethyl-phenylthiocarbamoyl)-piperidin-4-yl]-4-methoxy-benzamide
CID 3218725
2-(4-methoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]acetamide
CID 833603
N-{[(2,4-dimethoxyphenyl)amino]carbonothioyl}-2-phenylacetamide
CID 884330
(E)-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide
CID 1936855
N-phenyl-2-{3-[4-(propan-2-yloxy)phenyl]propanoyl}hydrazinecarbothioamide
CID 1970570
1-[(3-Methoxyphenyl)methyl]-1-methyl-3-(3-methylphenyl)thiourea
CID 2444076
1-Benzyl-3-(4-ethoxyphenyl)-1-propylthiourea
CID 2453513
4-benzyl-N-(4-methoxyphenyl)piperidine-1-carbothioamide
CID 8624377
Methyl (4-{[(3-methoxybenzyl)carbamothioyl]amino}phenyl)acetate
CID 945291
4-methoxy-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]benzamide
CID 1224956
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 2892595

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide (CID 833540) is N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide is CCN(C(=S)NC(=O)Cc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is WSSMUOAIMUQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-20(15-7-5-4-6-8-15)18(23)19-17(21)13-14-9-11-16(22-2)12-10-14/h4-12H,3,13H2,1-2H3,(H,19,21,23).
What are the key properties of N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 833540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).