N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide

C14H20N2O3S — CID 63685097

IUPACN-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
SMILESCCCOCCOCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O3S/c1-2-7-18-8-9-19-10-13(17)16-12-6-4-3-5-11(12)14(15)20/h3-6H,2,7-10H2,1H3,(H2,15,20)(H,16,17)
InChIKeyJVOFHKNDULRGKV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.70
Rot. Bonds9

About N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide

N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide (PubChem CID 63685097) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
PubChem CID63685097
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
SMILESCCCOCCOCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O3S/c1-2-7-18-8-9-19-10-13(17)16-12-6-4-3-5-11(12)14(15)20/h3-6H,2,7-10H2,1H3,(H2,15,20)(H,16,17)
InChIKeyJVOFHKNDULRGKV-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioylphenyl)-2-(3-methylbutoxy)acetamide
CID 24707112
N-[2-carbamothioyl-4-(trifluoromethyl)phenyl]-2-propoxyacetamide
CID 107939065
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29002285
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287172
2-(2-methoxyethoxy)-N-(2-propoxyphenyl)acetamide
CID 103606695
2-butoxy-N-(2-carbamothioylphenyl)propanamide
CID 43267700
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide (CID 63685097) is N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide is CCCOCCOCC(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide?
The InChIKey is JVOFHKNDULRGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-7-18-8-9-19-10-13(17)16-12-6-4-3-5-11(12)14(15)20/h3-6H,2,7-10H2,1H3,(H2,15,20)(H,16,17).
What are the key properties of N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide?
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide is sourced from PubChem (CID 63685097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).