N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide

C16H24FNOS — CID 47044211

IUPACN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H24FNOS/c1-11(20-5)15(19)18-14(10-16(2,3)4)12-6-8-13(17)9-7-12/h6-9,11,14H,10H2,1-5H3,(H,18,19)
InChIKeyIZCOLRDCNANJQT-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.17
Rot. Bonds5

About N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide (PubChem CID 47044211) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide
PubChem CID47044211
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H24FNOS/c1-11(20-5)15(19)18-14(10-16(2,3)4)12-6-8-13(17)9-7-12/h6-9,11,14H,10H2,1-5H3,(H,18,19)
InChIKeyIZCOLRDCNANJQT-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide (CID 47044211) is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)NC(CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide?
The InChIKey is IZCOLRDCNANJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-11(20-5)15(19)18-14(10-16(2,3)4)12-6-8-13(17)9-7-12/h6-9,11,14H,10H2,1-5H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide?
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide has a molecular weight of 297.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 47044211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).