2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide

C15H24N2OS — CID 78762031

IUPAC2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
SMILESCCCCSC(C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2OS/c1-5-6-11-19-12(2)15(18)16-13-7-9-14(10-8-13)17(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyTWRCIRSXJKZMLE-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.61
Rot. Bonds7

About 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide

2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 78762031) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID78762031
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
SMILESCCCCSC(C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2OS/c1-5-6-11-19-12(2)15(18)16-13-7-9-14(10-8-13)17(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyTWRCIRSXJKZMLE-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butylsulfanyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 60546381
2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide
CID 60546759
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 42989770
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
N-[4-amino-3-(trifluoromethyl)phenyl]-2-butylsulfanylpropanamide
CID 43615777
2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
CID 78762081
N-[4-(dipropylamino)phenyl]-2-methylpropanamide
CID 112985613
2-butylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55963010
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42989782
(2R)-N-[4-(dimethylamino)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 25346938
(2R)-2-butylsulfanyl-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]propanamide
CID 96550974

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide (CID 78762031) is 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide is CCCCSC(C)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is TWRCIRSXJKZMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-6-11-19-12(2)15(18)16-13-7-9-14(10-8-13)17(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,16,18).
What are the key properties of 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide?
2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 280.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 78762031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).