(2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide

C14H19F2NO3S — CID 96519573

IUPAC(2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide
SMILESC[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO3S/c1-9(11-6-5-10(15)7-12(11)16)13(18)17-21(19,20)8-14(2,3)4/h5-7,9H,8H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyIAAPQDZYZWZXJW-SECBINFHSA-N
MW319.37 g/mol
LogP2.56
Rot. Bonds4

About (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide

(2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide (PubChem CID 96519573) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide
PubChem CID96519573
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name(2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide
SMILESC[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO3S/c1-9(11-6-5-10(15)7-12(11)16)13(18)17-21(19,20)8-14(2,3)4/h5-7,9H,8H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyIAAPQDZYZWZXJW-SECBINFHSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide (CID 96519573) is (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide is C[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The InChIKey is IAAPQDZYZWZXJW-SECBINFHSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-9(11-6-5-10(15)7-12(11)16)13(18)17-21(19,20)8-14(2,3)4/h5-7,9H,8H2,1-4H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
(2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide has a molecular weight of 319.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide is sourced from PubChem (CID 96519573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).