N-(phenylcarbamothioyl)butanamide

C11H14N2OS — CID 916626

IUPACN-(phenylcarbamothioyl)butanamide
SMILESCCCC(=O)NC(=S)Nc1ccccc1
InChIInChI=1S/C11H14N2OS/c1-2-6-10(14)13-11(15)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,12,13,14,15)
InChIKeyFBNNFJLJINLWLJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.30
Rot. Bonds3

About N-(phenylcarbamothioyl)butanamide

N-(phenylcarbamothioyl)butanamide (PubChem CID 916626) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)butanamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)butanamide
PubChem CID916626
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(phenylcarbamothioyl)butanamide
SMILESCCCC(=O)NC(=S)Nc1ccccc1
InChIInChI=1S/C11H14N2OS/c1-2-6-10(14)13-11(15)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,12,13,14,15)
InChIKeyFBNNFJLJINLWLJ-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamothioyl)butanamide?
The IUPAC name of N-(phenylcarbamothioyl)butanamide (CID 916626) is N-(phenylcarbamothioyl)butanamide.
What is the SMILES notation for N-(phenylcarbamothioyl)butanamide?
The canonical SMILES for N-(phenylcarbamothioyl)butanamide is CCCC(=O)NC(=S)Nc1ccccc1.
What is the InChIKey of N-(phenylcarbamothioyl)butanamide?
The InChIKey is FBNNFJLJINLWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-6-10(14)13-11(15)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(phenylcarbamothioyl)butanamide?
N-(phenylcarbamothioyl)butanamide has a molecular weight of 222.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)butanamide is sourced from PubChem (CID 916626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).