2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

C15H22N2O3S — CID 79378440

IUPAC2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)COc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H22N2O3S/c1-4-17(10-15(2,3)19)13(18)9-20-12-7-5-11(6-8-12)14(16)21/h5-8,19H,4,9-10H2,1-3H3,(H2,16,21)
InChIKeyJLCUARNDCLOHLW-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.32
Rot. Bonds7

About 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 79378440) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID79378440
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)COc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H22N2O3S/c1-4-17(10-15(2,3)19)13(18)9-20-12-7-5-11(6-8-12)14(16)21/h5-8,19H,4,9-10H2,1-3H3,(H2,16,21)
InChIKeyJLCUARNDCLOHLW-UHFFFAOYSA-N
XLogP1.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.32
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-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
CID 43268912
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
CID 24690581
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859493
2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596351
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 79378440) is 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)COc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is JLCUARNDCLOHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-17(10-15(2,3)19)13(18)9-20-12-7-5-11(6-8-12)14(16)21/h5-8,19H,4,9-10H2,1-3H3,(H2,16,21).
What are the key properties of 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 79378440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).