2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide

C15H23NO3S2 — CID 60546759

IUPAC2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide
SMILESCCCCSC(C)C(=O)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C15H23NO3S2/c1-4-6-11-20-12(3)15(17)16-13-7-9-14(10-8-13)21(18,19)5-2/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyJZEZJWXTTLRNAY-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.34
Rot. Bonds8

About 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide

2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide (PubChem CID 60546759) has the molecular formula C15H23NO3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide
PubChem CID60546759
Molecular FormulaC15H23NO3S2
Molecular Weight329.49 g/mol
Exact Mass329.11
IUPAC Name2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide
SMILESCCCCSC(C)C(=O)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C15H23NO3S2/c1-4-6-11-20-12(3)15(17)16-13-7-9-14(10-8-13)21(18,19)5-2/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyJZEZJWXTTLRNAY-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(dimethylamino)phenyl]propanamide
CID 78762031
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
N-[4-amino-3-(trifluoromethyl)phenyl]-2-butylsulfanylpropanamide
CID 43615777
2-butylsulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 134037901
2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
CID 78762081
(2S)-2-butylsulfanyl-N-(4-cyanophenyl)sulfonylpropanamide
CID 94801229
2-butylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55963010
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358
(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-ethylsulfonylphenyl)propanamide?
The IUPAC name of 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide (CID 60546759) is 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide?
The canonical SMILES for 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide is CCCCSC(C)C(=O)Nc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide?
The InChIKey is JZEZJWXTTLRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S2/c1-4-6-11-20-12(3)15(17)16-13-7-9-14(10-8-13)21(18,19)5-2/h7-10,12H,4-6,11H2,1-3H3,(H,16,17).
What are the key properties of 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide?
2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide has a molecular weight of 329.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(4-ethylsulfonylphenyl)propanamide is sourced from PubChem (CID 60546759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).