N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide

C12H16N2O2S — CID 17154871

IUPACN-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C12H16N2O2S/c1-8(2)16-11-6-4-5-10(7-11)14-12(17)13-9(3)15/h4-8H,1-3H3,(H2,13,14,15,17)
InChIKeyDBUZSIVGCDFIRY-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.31
Rot. Bonds3

About N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide

N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide (PubChem CID 17154871) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
PubChem CID17154871
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C12H16N2O2S/c1-8(2)16-11-6-4-5-10(7-11)14-12(17)13-9(3)15/h4-8H,1-3H3,(H2,13,14,15,17)
InChIKeyDBUZSIVGCDFIRY-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.31
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-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
methyl 3-[(3-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175732
1-tert-butyl-3-(3-propan-2-yloxyphenyl)thiourea
CID 100582169
2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154881
N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
CID 823875
4-butan-2-yloxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154943
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
1-pentan-2-yl-3-(3-propan-2-yloxyphenyl)thiourea
CID 133174482
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17122622
3-(3-methylbutoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154914
1-[(4-fluorophenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100635319
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
CID 17161721

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide (CID 17154871) is N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1cccc(OC(C)C)c1.
What is the InChIKey of N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The InChIKey is DBUZSIVGCDFIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(2)16-11-6-4-5-10(7-11)14-12(17)13-9(3)15/h4-8H,1-3H3,(H2,13,14,15,17).
What are the key properties of N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide?
N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide has a molecular weight of 252.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17154871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).