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

C13H17FN2O2S — CID 112602650

IUPACN-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(F)c1C(N)=S
InChIInChI=1S/C13H17FN2O2S/c1-13(2,3)18-7-10(17)16-9-6-4-5-8(14)11(9)12(15)19/h4-6H,7H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyCWTBBABOXRJABR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.21
Rot. Bonds4

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

N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112602650) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112602650
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(F)c1C(N)=S
InChIInChI=1S/C13H17FN2O2S/c1-13(2,3)18-7-10(17)16-9-6-4-5-8(14)11(9)12(15)19/h4-6H,7H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyCWTBBABOXRJABR-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.21
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-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 62387868
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948
2-(1-amino-2-methylpropan-2-yl)oxy-N-(2-fluorophenyl)acetamide
CID 65053278
2-(2-carbamothioyl-3-fluoroanilino)-2-methylpropanamide
CID 79519748
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
ethyl 3-(2-carbamothioyl-3-fluoroanilino)propanoate
CID 79520406
N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 107805598

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112602650) is N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cccc(F)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is CWTBBABOXRJABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-13(2,3)18-7-10(17)16-9-6-4-5-8(14)11(9)12(15)19/h4-6H,7H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112602650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).