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

C14H19F2NO3S — CID 71869410

IUPAC2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide
SMILESCC(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)
InChIKeyIAAPQDZYZWZXJW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.56
Rot. Bonds4

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

2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide (PubChem CID 71869410) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide
PubChem CID71869410
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide
SMILESCC(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)
InChIKeyIAAPQDZYZWZXJW-UHFFFAOYSA-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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Related Compounds

Reparixin
CID 9838712
(S)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide
CID 11414892
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide
CID 11538336
2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide
CID 6433115
N-(phenylacetyl)trifluoromethanesulfonamide
CID 10038595
2-[2-methyl-4-(2-methylpropyl)phenyl]-N-methylsulfonylacetamide
CID 10356476
(2S)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11255697
(2R)-2-(3-fluoro-4-phenylphenyl)-N-methylsulfonylpropanamide
CID 11267195
sulfophenyl acetic Amide
CID 23199431
N-methylsulfonyl-3-phenylpropanamide
CID 47232700
2-(3-methylphenyl)-N-methylsulfonylacetamide
CID 118232046

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide (CID 71869410) is 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide is CC(C(=O)NS(=O)(=O)CC(C)(C)C)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The InChIKey is IAAPQDZYZWZXJW-UHFFFAOYSA-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).
What are the key properties of 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
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 2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide is sourced from PubChem (CID 71869410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).