2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide

C15H20N2O3S — CID 102862530

IUPAC2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C15H20N2O3S/c16-15(21)12-6-1-2-7-13(12)20-10-14(19)17(8-9-18)11-4-3-5-11/h1-2,6-7,11,18H,3-5,8-10H2,(H2,16,21)
InChIKeyBGVBDMCLIFZJIQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.07
Rot. Bonds7

About 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide

2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide (PubChem CID 102862530) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
PubChem CID102862530
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C15H20N2O3S/c16-15(21)12-6-1-2-7-13(12)20-10-14(19)17(8-9-18)11-4-3-5-11/h1-2,6-7,11,18H,3-5,8-10H2,(H2,16,21)
InChIKeyBGVBDMCLIFZJIQ-UHFFFAOYSA-N
XLogP1.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.07
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-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide
CID 64520553
2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
CID 54879329
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374
2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 61442997
2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43569454
2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
N-cyclobutyl-2-(2,6-dimethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 102684292
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
N-cyclobutyl-2-(2,4-dimethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 102684250
2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethoxy]benzenecarbothioamide
CID 43246300
N-cyclopropyl-2-(2,4-difluorophenoxy)-N-(2-hydroxyethyl)acetamide
CID 43577200

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide (CID 102862530) is 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide is NC(=S)c1ccccc1OCC(=O)N(CCO)C1CCC1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is BGVBDMCLIFZJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-15(21)12-6-1-2-7-13(12)20-10-14(19)17(8-9-18)11-4-3-5-11/h1-2,6-7,11,18H,3-5,8-10H2,(H2,16,21).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide?
2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 102862530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).