4-butylsulfanyl-N-(3-cyanophenyl)butanamide

C15H20N2OS — CID 43615804

IUPAC4-butylsulfanyl-N-(3-cyanophenyl)butanamide
SMILESCCCCSCCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2OS/c1-2-3-9-19-10-5-8-15(18)17-14-7-4-6-13(11-14)12-16/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,17,18)
InChIKeyFAWPMZNBJLBBCR-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.81
Rot. Bonds8

About 4-butylsulfanyl-N-(3-cyanophenyl)butanamide

4-butylsulfanyl-N-(3-cyanophenyl)butanamide (PubChem CID 43615804) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-butylsulfanyl-N-(3-cyanophenyl)butanamide.

Molecular Properties

Compound Name4-butylsulfanyl-N-(3-cyanophenyl)butanamide
PubChem CID43615804
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name4-butylsulfanyl-N-(3-cyanophenyl)butanamide
SMILESCCCCSCCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2OS/c1-2-3-9-19-10-5-8-15(18)17-14-7-4-6-13(11-14)12-16/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,17,18)
InChIKeyFAWPMZNBJLBBCR-UHFFFAOYSA-N
XLogP3.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butylsulfanyl-N-(3-cyanophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)octanamide
CID 4958584
N-(3-cyanophenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446104
methyl 3-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylpropanoate
CID 43617799
N-(3-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982247
ethyl 2-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylacetate
CID 43618394
N-(3-cyanophenyl)-4-propylsulfinylbutanamide
CID 64690477
3-butylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64692135
N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 103706215
N-(3-cyanophenyl)-3-(2-methylpropylsulfanyl)propanamide
CID 28887997
N-[(3-cyanophenyl)carbamothioyl]hexanamide
CID 4954024
N-(3-cyanophenyl)-4-(oxetan-3-ylsulfanyl)butanamide
CID 79326511
N-(3-cyanophenyl)-2-hexoxyacetamide
CID 29001724

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-N-(3-cyanophenyl)butanamide?
The IUPAC name of 4-butylsulfanyl-N-(3-cyanophenyl)butanamide (CID 43615804) is 4-butylsulfanyl-N-(3-cyanophenyl)butanamide.
What is the SMILES notation for 4-butylsulfanyl-N-(3-cyanophenyl)butanamide?
The canonical SMILES for 4-butylsulfanyl-N-(3-cyanophenyl)butanamide is CCCCSCCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 4-butylsulfanyl-N-(3-cyanophenyl)butanamide?
The InChIKey is FAWPMZNBJLBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-3-9-19-10-5-8-15(18)17-14-7-4-6-13(11-14)12-16/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,17,18).
What are the key properties of 4-butylsulfanyl-N-(3-cyanophenyl)butanamide?
4-butylsulfanyl-N-(3-cyanophenyl)butanamide has a molecular weight of 276.40 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-N-(3-cyanophenyl)butanamide is sourced from PubChem (CID 43615804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).