N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide

C22H23NO2S — CID 8700318

IUPACN-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide
SMILESCOc1ccc(NC(=O)CCCSc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C22H23NO2S/c1-16-9-11-17(12-10-16)26-15-5-8-22(24)23-20-13-14-21(25-2)19-7-4-3-6-18(19)20/h3-4,6-7,9-14H,5,8,15H2,1-2H3,(H,23,24)
InChIKeyIGPIPRXZPRNGRX-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.67
Rot. Bonds7

About N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide

N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide (PubChem CID 8700318) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide
PubChem CID8700318
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide
SMILESCOc1ccc(NC(=O)CCCSc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C22H23NO2S/c1-16-9-11-17(12-10-16)26-15-5-8-22(24)23-20-13-14-21(25-2)19-7-4-3-6-18(19)20/h3-4,6-7,9-14H,5,8,15H2,1-2H3,(H,23,24)
InChIKeyIGPIPRXZPRNGRX-UHFFFAOYSA-N
XLogP5.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxynaphthalen-1-yl)hexanamide
CID 4090192
4-(4-chlorophenyl)sulfonyl-N-(4-methoxynaphthalen-1-yl)butanamide
CID 18586059
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
1-(8-methoxyquinolin-5-yl)-3-[3-(4-methylphenyl)sulfanylpropyl]thiourea
CID 100689105
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 7979690
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208862
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955
N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 142489795
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide?
The IUPAC name of N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide (CID 8700318) is N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide.
What is the SMILES notation for N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide?
The canonical SMILES for N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide is COc1ccc(NC(=O)CCCSc2ccc(C)cc2)c2ccccc12.
What is the InChIKey of N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide?
The InChIKey is IGPIPRXZPRNGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-16-9-11-17(12-10-16)26-15-5-8-22(24)23-20-13-14-21(25-2)19-7-4-3-6-18(19)20/h3-4,6-7,9-14H,5,8,15H2,1-2H3,(H,23,24).
What are the key properties of N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide?
N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide has a molecular weight of 365.50 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide is sourced from PubChem (CID 8700318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).