N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide

C19H21FN2O2S — CID 54788723

IUPACN-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccccc1C(=O)NC(=S)Nc1cccc(F)c1
InChIInChI=1S/C19H21FN2O2S/c1-13(2)10-11-24-17-9-4-3-8-16(17)18(23)22-19(25)21-15-7-5-6-14(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H2,21,22,23,25)
InChIKeyFJZCPZJBOZRZDT-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.38
Rot. Bonds6

About N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide

N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide (PubChem CID 54788723) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
PubChem CID54788723
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccccc1C(=O)NC(=S)Nc1cccc(F)c1
InChIInChI=1S/C19H21FN2O2S/c1-13(2)10-11-24-17-9-4-3-8-16(17)18(23)22-19(25)21-15-7-5-6-14(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H2,21,22,23,25)
InChIKeyFJZCPZJBOZRZDT-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.38
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-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 26159802
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628556
N-[(4-hydroxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944357
N-[(4-chlorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944368
N-[(4-benzamido-3-methylphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 54781894
N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 26159832
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
N-(4-anilinophenyl)-2-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide
CID 4944648
N-[(2-ethoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944555
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123705
N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17197135
N-[(4-heptoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4951664

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide (CID 54788723) is N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide is CC(C)CCOc1ccccc1C(=O)NC(=S)Nc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide?
The InChIKey is FJZCPZJBOZRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13(2)10-11-24-17-9-4-3-8-16(17)18(23)22-19(25)21-15-7-5-6-14(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide?
N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide has a molecular weight of 360.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 54788723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).