N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide

C14H18N2O3S — CID 61287172

IUPACN-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
SMILESNC(=S)c1ccccc1NC(=O)COC1CCOCC1
InChIInChI=1S/C14H18N2O3S/c15-14(20)11-3-1-2-4-12(11)16-13(17)9-19-10-5-7-18-8-6-10/h1-4,10H,5-9H2,(H2,15,20)(H,16,17)
InChIKeyHNGINTHIPPQJNZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.45
Rot. Bonds5

About N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide

N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide (PubChem CID 61287172) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
PubChem CID61287172
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
SMILESNC(=S)c1ccccc1NC(=O)COC1CCOCC1
InChIInChI=1S/C14H18N2O3S/c15-14(20)11-3-1-2-4-12(11)16-13(17)9-19-10-5-7-18-8-6-10/h1-4,10H,5-9H2,(H2,15,20)(H,16,17)
InChIKeyHNGINTHIPPQJNZ-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.45
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-cyclohexyloxyacetyl)amino]benzamide
CID 47242614
N-(3-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287173
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
N-(2-acetylphenyl)-2-cyclohexyloxyacetamide
CID 47242389
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide
CID 24707112
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
2-cyclohexyloxy-N-(2-hydroxyphenyl)acetamide
CID 47246242
N-[2-(aminomethyl)phenyl]-2-cyclopentyloxyacetamide
CID 16795947

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide (CID 61287172) is N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide is NC(=S)c1ccccc1NC(=O)COC1CCOCC1.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide?
The InChIKey is HNGINTHIPPQJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-14(20)11-3-1-2-4-12(11)16-13(17)9-19-10-5-7-18-8-6-10/h1-4,10H,5-9H2,(H2,15,20)(H,16,17).
What are the key properties of N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide?
N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide is sourced from PubChem (CID 61287172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).