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

C15H22FNO3S — CID 5177297

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO3S/c1-12(2)7-9-17-15(18)8-10-21(19,20)11-13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyIKIPNVAQNVWNJQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.29
Rot. Bonds8

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

3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide (PubChem CID 5177297) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide
PubChem CID5177297
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO3S/c1-12(2)7-9-17-15(18)8-10-21(19,20)11-13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyIKIPNVAQNVWNJQ-UHFFFAOYSA-N
XLogP2.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 108946249
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N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide
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N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
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3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
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[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
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1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine
CID 110978267
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
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3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide (CID 5177297) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide?
The InChIKey is IKIPNVAQNVWNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-12(2)7-9-17-15(18)8-10-21(19,20)11-13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide has a molecular weight of 315.41 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 5177297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).