N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide

C12H16N2O2S — CID 24707621

IUPACN-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C12H16N2O2S/c1-8(2)16-7-11(15)14-10-5-3-4-9(6-10)12(13)17/h3-6,8H,7H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyXJNGMPSHRGJEOF-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.68
Rot. Bonds5

About N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide

N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide (PubChem CID 24707621) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
PubChem CID24707621
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C12H16N2O2S/c1-8(2)16-7-11(15)14-10-5-3-4-9(6-10)12(13)17/h3-6,8H,7H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyXJNGMPSHRGJEOF-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 39158622
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
CID 39158590
N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide
CID 24709667
2-[butan-2-yl(methyl)amino]-N-(3-carbamothioylphenyl)acetamide
CID 43272948
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269592

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide (CID 24707621) is N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide?
The InChIKey is XJNGMPSHRGJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(2)16-7-11(15)14-10-5-3-4-9(6-10)12(13)17/h3-6,8H,7H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide?
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide has a molecular weight of 252.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 24707621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).