N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide

C18H15NOS — CID 107028284

IUPACN-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide
SMILESO=C(NCc1cccc2ccccc12)c1cccc(S)c1
InChIInChI=1S/C18H15NOS/c20-18(14-7-4-9-16(21)11-14)19-12-15-8-3-6-13-5-1-2-10-17(13)15/h1-11,21H,12H2,(H,19,20)
InChIKeyRPNBDHUKKPVVPL-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.06
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide

N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide (PubChem CID 107028284) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide
PubChem CID107028284
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC NameN-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide
SMILESO=C(NCc1cccc2ccccc12)c1cccc(S)c1
InChIInChI=1S/C18H15NOS/c20-18(14-7-4-9-16(21)11-14)19-12-15-8-3-6-13-5-1-2-10-17(13)15/h1-11,21H,12H2,(H,19,20)
InChIKeyRPNBDHUKKPVVPL-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.06
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-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028283
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide
CID 107032569
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 60675809
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide (CID 107028284) is N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide is O=C(NCc1cccc2ccccc12)c1cccc(S)c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide?
The InChIKey is RPNBDHUKKPVVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-18(14-7-4-9-16(21)11-14)19-12-15-8-3-6-13-5-1-2-10-17(13)15/h1-11,21H,12H2,(H,19,20).
What are the key properties of N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide?
N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide has a molecular weight of 293.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107028284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).