2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide

C15H20N2O2S — CID 43569454

IUPAC2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C15H20N2O2S/c1-10(11-7-8-11)17(2)14(18)9-19-13-6-4-3-5-12(13)15(16)20/h3-6,10-11H,7-9H2,1-2H3,(H2,16,20)
InChIKeyPBQLDICHEMJDCT-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.96
Rot. Bonds6

About 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide

2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide (PubChem CID 43569454) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
PubChem CID43569454
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C15H20N2O2S/c1-10(11-7-8-11)17(2)14(18)9-19-13-6-4-3-5-12(13)15(16)20/h3-6,10-11H,7-9H2,1-2H3,(H2,16,20)
InChIKeyPBQLDICHEMJDCT-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
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-(2-hydroxyethyl)-N-methylacetamide
CID 54879329
2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide
CID 64520553
2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102862530
2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 61442997
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43527060
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55473244
2-(2-acetylphenoxy)-N-benzhydryl-N-methylacetamide
CID 112781539
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-[2-(2-methylpyrrolidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 54882490

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide (CID 43569454) is 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide is CC(C1CC1)N(C)C(=O)COc1ccccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide?
The InChIKey is PBQLDICHEMJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(11-7-8-11)17(2)14(18)9-19-13-6-4-3-5-12(13)15(16)20/h3-6,10-11H,7-9H2,1-2H3,(H2,16,20).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide?
2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide has a molecular weight of 292.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide is sourced from PubChem (CID 43569454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).