N-(2-sulfanylphenyl)naphthalene-2-carboxamide

C17H13NOS — CID 23961098

IUPACN-(2-sulfanylphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1S)c1ccc2ccccc2c1
InChIInChI=1S/C17H13NOS/c19-17(18-15-7-3-4-8-16(15)20)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,18,19)
InChIKeyJBFMAGBZFWHEHZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.38
Rot. Bonds2

About N-(2-sulfanylphenyl)naphthalene-2-carboxamide

N-(2-sulfanylphenyl)naphthalene-2-carboxamide (PubChem CID 23961098) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-sulfanylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-sulfanylphenyl)naphthalene-2-carboxamide
PubChem CID23961098
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC NameN-(2-sulfanylphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1S)c1ccc2ccccc2c1
InChIInChI=1S/C17H13NOS/c19-17(18-15-7-3-4-8-16(15)20)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,18,19)
InChIKeyJBFMAGBZFWHEHZ-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
zinc N-(2-sulfanylphenyl)benzamide
CID 22756062
N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
CID 114298463
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
CID 23968766
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-sulfanylphenyl)naphthalene-2-carboxamide (CID 23961098) is N-(2-sulfanylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-sulfanylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-sulfanylphenyl)naphthalene-2-carboxamide is O=C(Nc1ccccc1S)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-sulfanylphenyl)naphthalene-2-carboxamide?
The InChIKey is JBFMAGBZFWHEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-17(18-15-7-3-4-8-16(15)20)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,18,19).
What are the key properties of N-(2-sulfanylphenyl)naphthalene-2-carboxamide?
N-(2-sulfanylphenyl)naphthalene-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 23961098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).