N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide

C14H20N2O2S — CID 102981860

IUPACN-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide
SMILESCCCC(C)OCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2O2S/c1-3-4-10(2)18-9-13(17)16-12-7-5-11(6-8-12)14(15)19/h5-8,10H,3-4,9H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyYJTCSROVQHDVPW-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.46
Rot. Bonds7

About N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide

N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide (PubChem CID 102981860) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide
PubChem CID102981860
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide
SMILESCCCC(C)OCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2O2S/c1-3-4-10(2)18-9-13(17)16-12-7-5-11(6-8-12)14(15)19/h5-8,10H,3-4,9H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyYJTCSROVQHDVPW-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide (CID 102981860) is N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide is CCCC(C)OCC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide?
The InChIKey is YJTCSROVQHDVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-4-10(2)18-9-13(17)16-12-7-5-11(6-8-12)14(15)19/h5-8,10H,3-4,9H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide?
N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide is sourced from PubChem (CID 102981860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).