N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide

C20H19NOS — CID 18287141

IUPACN-(2-benzylsulfanylethyl)naphthalene-1-carboxamide
SMILESO=C(NCCSCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NOS/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)21-13-14-23-15-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,21,22)
InChIKeyPAHIFCOLSGLMIS-UHFFFAOYSA-N
MW321.44 g/mol
LogP4.50
Rot. Bonds6

About N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide

N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide (PubChem CID 18287141) has the molecular formula C20H19NOS and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)naphthalene-1-carboxamide
PubChem CID18287141
Molecular FormulaC20H19NOS
Molecular Weight321.44 g/mol
Exact Mass321.12
IUPAC NameN-(2-benzylsulfanylethyl)naphthalene-1-carboxamide
SMILESO=C(NCCSCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NOS/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)21-13-14-23-15-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,21,22)
InChIKeyPAHIFCOLSGLMIS-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.50
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-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide
CID 103767307
N-(2-benzylsulfanylethyl)-2-methoxybenzamide
CID 5225725
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
N-[N'-(2-benzylsulfanylethyl)carbamimidoyl]naphthalene-1-carboxamide
CID 22149303
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319
N-(2-benzylsulfanylethyl)-2-chloro-4,5-difluorobenzamide
CID 32965453
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-(2-benzylsulfanylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 75369661
N-(2-benzylsulfanylethyl)-2-methoxy-5-methylbenzamide
CID 9470342
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide (CID 18287141) is N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide is O=C(NCCSCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide?
The InChIKey is PAHIFCOLSGLMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)21-13-14-23-15-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,21,22).
What are the key properties of N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide?
N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 18287141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).