2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide

C14H17N3O3S — CID 62094351

IUPAC2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)NC1CCCNC1=O
InChIInChI=1S/C14H17N3O3S/c15-13(21)9-4-1-2-6-11(9)20-8-12(18)17-10-5-3-7-16-14(10)19/h1-2,4,6,10H,3,5,7-8H2,(H2,15,21)(H,16,19)(H,17,18)
InChIKeyNPKUUSPXVFYJJH-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.09
Rot. Bonds5

About 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide

2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide (PubChem CID 62094351) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide
PubChem CID62094351
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)NC1CCCNC1=O
InChIInChI=1S/C14H17N3O3S/c15-13(21)9-4-1-2-6-11(9)20-8-12(18)17-10-5-3-7-16-14(10)19/h1-2,4,6,10H,3,5,7-8H2,(H2,15,21)(H,16,19)(H,17,18)
InChIKeyNPKUUSPXVFYJJH-UHFFFAOYSA-N
XLogP0.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 94219466
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
CID 83015559
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
CID 24703026
2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102862530
[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl] 2-morpholin-4-ylbenzoate
CID 49107650
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62498386
3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide
CID 112578755

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide (CID 62094351) is 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide is NC(=S)c1ccccc1OCC(=O)NC1CCCNC1=O.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide?
The InChIKey is NPKUUSPXVFYJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-13(21)9-4-1-2-6-11(9)20-8-12(18)17-10-5-3-7-16-14(10)19/h1-2,4,6,10H,3,5,7-8H2,(H2,15,21)(H,16,19)(H,17,18).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide?
2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 62094351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).