2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide

C14H20N2O2S — CID 43268912

IUPAC2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)COc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2O2S/c1-3-9-16(4-2)13(17)10-18-12-7-5-11(6-8-12)14(15)19/h5-8H,3-4,9-10H2,1-2H3,(H2,15,19)
InChIKeySEZRCMZFCQHYCK-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.96
Rot. Bonds7

About 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide

2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide (PubChem CID 43268912) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
PubChem CID43268912
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)COc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2O2S/c1-3-9-16(4-2)13(17)10-18-12-7-5-11(6-8-12)14(15)19/h5-8H,3-4,9-10H2,1-2H3,(H2,15,19)
InChIKeySEZRCMZFCQHYCK-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
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-(4-carbamothioylphenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79378440
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290637
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
CID 24690581
4-[2-[methyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290676
2-(4-aminophenoxy)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63696448
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide?
The IUPAC name of 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide (CID 43268912) is 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide.
What is the SMILES notation for 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide?
The canonical SMILES for 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide is CCCN(CC)C(=O)COc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide?
The InChIKey is SEZRCMZFCQHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-9-16(4-2)13(17)10-18-12-7-5-11(6-8-12)14(15)19/h5-8H,3-4,9-10H2,1-2H3,(H2,15,19).
What are the key properties of 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide?
2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide is sourced from PubChem (CID 43268912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).