N-carbamothioyl-2-naphthalen-1-ylacetamide

C13H12N2OS — CID 150600565

IUPACN-carbamothioyl-2-naphthalen-1-ylacetamide
SMILESNC(=S)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C13H12N2OS/c14-13(17)15-12(16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H3,14,15,16,17)
InChIKeyIRTYKYODZBRMMU-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.74
Rot. Bonds2

About N-carbamothioyl-2-naphthalen-1-ylacetamide

N-carbamothioyl-2-naphthalen-1-ylacetamide (PubChem CID 150600565) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-carbamothioyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-carbamothioyl-2-naphthalen-1-ylacetamide
PubChem CID150600565
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-carbamothioyl-2-naphthalen-1-ylacetamide
SMILESNC(=S)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C13H12N2OS/c14-13(17)15-12(16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H3,14,15,16,17)
InChIKeyIRTYKYODZBRMMU-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.74
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-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide
CID 920719
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042
N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172
N-[(2,3-dimethylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 4778596
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 28642901
N-[3-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]butanamide
CID 17187698

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-2-naphthalen-1-ylacetamide?
The IUPAC name of N-carbamothioyl-2-naphthalen-1-ylacetamide (CID 150600565) is N-carbamothioyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-carbamothioyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-carbamothioyl-2-naphthalen-1-ylacetamide is NC(=S)NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-carbamothioyl-2-naphthalen-1-ylacetamide?
The InChIKey is IRTYKYODZBRMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-13(17)15-12(16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H3,14,15,16,17).
What are the key properties of N-carbamothioyl-2-naphthalen-1-ylacetamide?
N-carbamothioyl-2-naphthalen-1-ylacetamide has a molecular weight of 244.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 150600565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).