N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide

C17H18FNOS — CID 41086197

IUPACN-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
SMILESCc1ccc(SCCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-13-4-10-16(11-5-13)21-12-2-3-17(20)19-15-8-6-14(18)7-9-15/h4-11H,2-3,12H2,1H3,(H,19,20)
InChIKeyPEIPITXISWIZFK-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.65
Rot. Bonds6

About N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide

N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide (PubChem CID 41086197) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
PubChem CID41086197
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
SMILESCc1ccc(SCCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-13-4-10-16(11-5-13)21-12-2-3-17(20)19-15-8-6-14(18)7-9-15/h4-11H,2-3,12H2,1H3,(H,19,20)
InChIKeyPEIPITXISWIZFK-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.65
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-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8856195
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-methylphenyl)urea
CID 51179263
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 26635919
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide?
The IUPAC name of N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide (CID 41086197) is N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide is Cc1ccc(SCCCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide?
The InChIKey is PEIPITXISWIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-13-4-10-16(11-5-13)21-12-2-3-17(20)19-15-8-6-14(18)7-9-15/h4-11H,2-3,12H2,1H3,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide?
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide has a molecular weight of 303.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide is sourced from PubChem (CID 41086197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).