N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide

C26H24N2O2S — CID 176939034

IUPACN-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide
SMILESCCNC(=O)c1cccc2ccccc12.O=CNc1ccccc1Sc1ccccc1
InChIInChI=1S/C13H11NOS.C13H13NO/c15-10-14-12-8-4-5-9-13(12)16-11-6-2-1-3-7-11;1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12/h1-10H,(H,14,15);3-9H,2H2,1H3,(H,14,15)
InChIKeyZNEURAYHJAQQLP-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.00
Rot. Bonds6

About N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide

N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide (PubChem CID 176939034) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide.

Molecular Properties

Compound NameN-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide
PubChem CID176939034
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC NameN-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide
SMILESCCNC(=O)c1cccc2ccccc12.O=CNc1ccccc1Sc1ccccc1
InChIInChI=1S/C13H11NOS.C13H13NO/c15-10-14-12-8-4-5-9-13(12)16-11-6-2-1-3-7-11;1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12/h1-10H,(H,14,15);3-9H,2H2,1H3,(H,14,15)
InChIKeyZNEURAYHJAQQLP-UHFFFAOYSA-N
XLogP6.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(3,5-dimethoxyphenoxy)phenyl]formamide;N-ethylnaphthalene-1-carboxamide
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N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
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2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
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CID 8701456

Frequently Asked Questions

What is the IUPAC name of N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide?
The IUPAC name of N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide (CID 176939034) is N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide.
What is the SMILES notation for N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide?
The canonical SMILES for N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide is CCNC(=O)c1cccc2ccccc12.O=CNc1ccccc1Sc1ccccc1.
What is the InChIKey of N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide?
The InChIKey is ZNEURAYHJAQQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS.C13H13NO/c15-10-14-12-8-4-5-9-13(12)16-11-6-2-1-3-7-11;1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12/h1-10H,(H,14,15);3-9H,2H2,1H3,(H,14,15).
What are the key properties of N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide?
N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide has a molecular weight of 428.56 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide is sourced from PubChem (CID 176939034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).