N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide

C20H19NOS — CID 26352441

IUPACN-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
SMILESO=C(NCCCSc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NOS/c22-20(18-12-11-16-7-4-5-8-17(16)15-18)21-13-6-14-23-19-9-2-1-3-10-19/h1-5,7-12,15H,6,13-14H2,(H,21,22)
InChIKeyMYQICKLXAMNBRK-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.75
Rot. Bonds6

About N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide

N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide (PubChem CID 26352441) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
PubChem CID26352441
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC NameN-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
SMILESO=C(NCCCSc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NOS/c22-20(18-12-11-16-7-4-5-8-17(16)15-18)21-13-6-14-23-19-9-2-1-3-10-19/h1-5,7-12,15H,6,13-14H2,(H,21,22)
InChIKeyMYQICKLXAMNBRK-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-propylnaphthalene-2-carboxamide
CID 6624536
4-(methylsulfonylmethyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 26352356
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902
(3R)-1-oxo-3-phenyl-N-(3-phenylsulfanylpropyl)-3,4-dihydroisochromene-6-carboxamide
CID 8012766

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide?
The IUPAC name of N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide (CID 26352441) is N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide is O=C(NCCCSc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide?
The InChIKey is MYQICKLXAMNBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c22-20(18-12-11-16-7-4-5-8-17(16)15-18)21-13-6-14-23-19-9-2-1-3-10-19/h1-5,7-12,15H,6,13-14H2,(H,21,22).
What are the key properties of N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide?
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 26352441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).