2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide

C16H23N3O3S — CID 2987165

IUPAC2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide
SMILESCCN1CCN(C(=S)c2ccc(OCC(N)=O)c(OC)c2)CC1
InChIInChI=1S/C16H23N3O3S/c1-3-18-6-8-19(9-7-18)16(23)12-4-5-13(14(10-12)21-2)22-11-15(17)20/h4-5,10H,3,6-9,11H2,1-2H3,(H2,17,20)
InChIKeyOWDRSZCUJQLMKJ-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.87
Rot. Bonds6

About 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide

2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide (PubChem CID 2987165) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide
PubChem CID2987165
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide
SMILESCCN1CCN(C(=S)c2ccc(OCC(N)=O)c(OC)c2)CC1
InChIInChI=1S/C16H23N3O3S/c1-3-18-6-8-19(9-7-18)16(23)12-4-5-13(14(10-12)21-2)22-11-15(17)20/h4-5,10H,3,6-9,11H2,1-2H3,(H2,17,20)
InChIKeyOWDRSZCUJQLMKJ-UHFFFAOYSA-N
XLogP0.87
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
CID 9092899
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
(4-benzylpiperazin-1-yl)-(3,4-dimethoxyphenyl)methanethione
CID 1291602
N-(4-bromophenyl)-2-[2-ethoxy-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126264063
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 119644854
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558
2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
CID 94797465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide (CID 2987165) is 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide is CCN1CCN(C(=S)c2ccc(OCC(N)=O)c(OC)c2)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide?
The InChIKey is OWDRSZCUJQLMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-18-6-8-19(9-7-18)16(23)12-4-5-13(14(10-12)21-2)22-11-15(17)20/h4-5,10H,3,6-9,11H2,1-2H3,(H2,17,20).
What are the key properties of 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide?
2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide has a molecular weight of 337.45 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 2987165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).