2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide

C14H20FNO3S — CID 47155894

IUPAC2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO3S/c1-10(2)8-16-14(17)11(3)20(18,19)9-12-5-4-6-13(15)7-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyDPYHYAOLNCFVEN-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.90
Rot. Bonds6

About 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide

2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide (PubChem CID 47155894) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide
PubChem CID47155894
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO3S/c1-10(2)8-16-14(17)11(3)20(18,19)9-12-5-4-6-13(15)7-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyDPYHYAOLNCFVEN-UHFFFAOYSA-N
XLogP1.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide
CID 51954078
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
(2S)-2-[(3-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)propanamide
CID 52504520
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912118
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 61368809
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2S)-2-[(3-fluorophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71461261
2-acetamido-3-[(3-fluorophenyl)methylsulfonyl]propanoic acid
CID 107768165

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide (CID 47155894) is 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)S(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide?
The InChIKey is DPYHYAOLNCFVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10(2)8-16-14(17)11(3)20(18,19)9-12-5-4-6-13(15)7-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide?
2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide has a molecular weight of 301.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfonyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 47155894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).