N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H18N2O2S — CID 29002289

IUPACN-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C13H18N2O2S/c1-13(2,3)17-8-11(16)15-10-6-4-5-9(7-10)12(14)18/h4-7H,8H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyBETBMRFDQSEAES-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.07
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 29002289) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID29002289
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C13H18N2O2S/c1-13(2,3)17-8-11(16)15-10-6-4-5-9(7-10)12(14)18/h4-7H,8H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyBETBMRFDQSEAES-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.07
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)-2-propan-2-yloxyacetamide
CID 24707621
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 39158622
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-(3-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24692503
N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
CID 39158590
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106912441
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
N-(3-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287173

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 29002289) is N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is BETBMRFDQSEAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,3)17-8-11(16)15-10-6-4-5-9(7-10)12(14)18/h4-7H,8H2,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 266.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 29002289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).