O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate

C19H17NOS — CID 5510

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IUPACO-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate
SMILESCc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
InChIKeyFUSNMLFNXJSCDI-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.95
Rot. Bonds2

About O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate

O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate (PubChem CID 5510) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate.

Molecular Properties

Compound NameO-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate
PubChem CID5510
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC NameO-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate
SMILESCc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3
InChIKeyFUSNMLFNXJSCDI-UHFFFAOYSA-N
XLogP4.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
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1-[4-(3-Methoxy-phenyl)-cyclohex-3-enyl]-4-naphthalen-1-yl-piperazine
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1-[3-(6-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
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Frequently Asked Questions

What is the IUPAC name of O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate?
The IUPAC name of O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate (CID 5510) is O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate.
What is the SMILES notation for O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate?
The canonical SMILES for O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate is Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1.
What is the InChIKey of O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate?
The InChIKey is FUSNMLFNXJSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3.
What are the key properties of O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate?
O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate has a molecular weight of 307.42 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate is sourced from PubChem (CID 5510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).