N-(naphthalen-1-ylcarbamothioyl)butanamide

C15H16N2OS — CID 916625

IUPACN-(naphthalen-1-ylcarbamothioyl)butanamide
SMILESCCCC(=O)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2OS/c1-2-6-14(18)17-15(19)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyMBFUHCDRDUIDKX-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.45
Rot. Bonds3

About N-(naphthalen-1-ylcarbamothioyl)butanamide

N-(naphthalen-1-ylcarbamothioyl)butanamide (PubChem CID 916625) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(naphthalen-1-ylcarbamothioyl)butanamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylcarbamothioyl)butanamide
PubChem CID916625
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(naphthalen-1-ylcarbamothioyl)butanamide
SMILESCCCC(=O)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2OS/c1-2-6-14(18)17-15(19)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyMBFUHCDRDUIDKX-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
N-[(2-cyanophenyl)carbamothioyl]butanamide
CID 833253
N-[(3-chloro-2-methylphenyl)carbamothioyl]butanamide
CID 916614
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]butanamide
CID 890021
2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 54786425
methyl N-[[2-(butanoylamino)phenyl]carbamothioyl]carbamate
CID 21451886
N-butyl-2-(naphthalen-1-ylcarbamothioylamino)acetamide
CID 173169464
N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713
N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4990404
2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4632228
N-[3-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]butanamide
CID 17187698

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylcarbamothioyl)butanamide?
The IUPAC name of N-(naphthalen-1-ylcarbamothioyl)butanamide (CID 916625) is N-(naphthalen-1-ylcarbamothioyl)butanamide.
What is the SMILES notation for N-(naphthalen-1-ylcarbamothioyl)butanamide?
The canonical SMILES for N-(naphthalen-1-ylcarbamothioyl)butanamide is CCCC(=O)NC(=S)Nc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylcarbamothioyl)butanamide?
The InChIKey is MBFUHCDRDUIDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-6-14(18)17-15(19)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(naphthalen-1-ylcarbamothioyl)butanamide?
N-(naphthalen-1-ylcarbamothioyl)butanamide has a molecular weight of 272.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylcarbamothioyl)butanamide is sourced from PubChem (CID 916625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).