2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide

C14H20N2O3S — CID 103567401

IUPAC2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCOc1cc(OCC(=O)NCC(C)C)cc(C(N)=S)c1
InChIInChI=1S/C14H20N2O3S/c1-9(2)7-16-13(17)8-19-12-5-10(14(15)20)4-11(6-12)18-3/h4-6,9H,7-8H2,1-3H3,(H2,15,20)(H,16,17)
InChIKeySTIWUHCUNULZCL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.48
Rot. Bonds7

About 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide

2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 103567401) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID103567401
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCOc1cc(OCC(=O)NCC(C)C)cc(C(N)=S)c1
InChIInChI=1S/C14H20N2O3S/c1-9(2)7-16-13(17)8-19-12-5-10(14(15)20)4-11(6-12)18-3/h4-6,9H,7-8H2,1-3H3,(H2,15,20)(H,16,17)
InChIKeySTIWUHCUNULZCL-UHFFFAOYSA-N
XLogP1.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-carbamothioyl-5-methoxyphenoxy)-N-(3-methylbutyl)acetamide
CID 103567236
2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 61388239
3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 4991796
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 7688307
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-[4-(3-aminobutyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16783381
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
3-butan-2-yloxy-5-methoxybenzenecarbothioamide
CID 103567251
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide (CID 103567401) is 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide is COc1cc(OCC(=O)NCC(C)C)cc(C(N)=S)c1.
What is the InChIKey of 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is STIWUHCUNULZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(2)7-16-13(17)8-19-12-5-10(14(15)20)4-11(6-12)18-3/h4-6,9H,7-8H2,1-3H3,(H2,15,20)(H,16,17).
What are the key properties of 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 103567401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).