N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide

C15H21F2NO3S — CID 71970756

IUPACN-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
SMILESCC(C)(C)C(NC(=O)CCS(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO3S/c1-15(2,3)14(11-6-5-10(16)9-12(11)17)18-13(19)7-8-22(4,20)21/h5-6,9,14H,7-8H2,1-4H3,(H,18,19)
InChIKeyUINPKCYOQCTOIH-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.60
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide

N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide (PubChem CID 71970756) has the molecular formula C15H21F2NO3S and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
PubChem CID71970756
Molecular FormulaC15H21F2NO3S
Molecular Weight333.40 g/mol
Exact Mass333.12
IUPAC NameN-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide
SMILESCC(C)(C)C(NC(=O)CCS(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO3S/c1-15(2,3)14(11-6-5-10(16)9-12(11)17)18-13(19)7-8-22(4,20)21/h5-6,9,14H,7-8H2,1-4H3,(H,18,19)
InChIKeyUINPKCYOQCTOIH-UHFFFAOYSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide (CID 71970756) is N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide is CC(C)(C)C(NC(=O)CCS(C)(=O)=O)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide?
The InChIKey is UINPKCYOQCTOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3S/c1-15(2,3)14(11-6-5-10(16)9-12(11)17)18-13(19)7-8-22(4,20)21/h5-6,9,14H,7-8H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide?
N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide has a molecular weight of 333.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 71970756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).