N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide

C20H18N2OS — CID 920719

IUPACN-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NC(=S)NCc1ccccc1
InChIInChI=1S/C20H18N2OS/c23-19(22-20(24)21-14-15-7-2-1-3-8-15)13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2,(H2,21,22,23,24)
InChIKeyYIQIJUTVQJWTPP-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.57
Rot. Bonds4

About N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide

N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide (PubChem CID 920719) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide
PubChem CID920719
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NC(=S)NCc1ccccc1
InChIInChI=1S/C20H18N2OS/c23-19(22-20(24)21-14-15-7-2-1-3-8-15)13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2,(H2,21,22,23,24)
InChIKeyYIQIJUTVQJWTPP-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.57
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-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide (CID 920719) is N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NC(=S)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide?
The InChIKey is YIQIJUTVQJWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c23-19(22-20(24)21-14-15-7-2-1-3-8-15)13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2,(H2,21,22,23,24).
What are the key properties of N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide?
N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide has a molecular weight of 334.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 920719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).