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

C14H20N2O2S — CID 43131454

IUPAC2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-9(2)10(3)16-13(17)8-18-12-7-5-4-6-11(12)14(15)19/h4-7,9-10H,8H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyODNCHTZIEGNAPM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.86
Rot. Bonds6

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

2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 43131454) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
PubChem CID43131454
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-9(2)10(3)16-13(17)8-18-12-7-5-4-6-11(12)14(15)19/h4-7,9-10H,8H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyODNCHTZIEGNAPM-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 76905153
3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 42904343
2-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]benzamide
CID 43426354
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
N-cyclopentyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 87021771
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide (CID 43131454) is 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1ccccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ODNCHTZIEGNAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(2)10(3)16-13(17)8-18-12-7-5-4-6-11(12)14(15)19/h4-7,9-10H,8H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 43131454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).