N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide

C15H23FN2O3S — CID 113141326

IUPACN-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-3-4-5-11-18(22(2,20)21)12-10-15(19)17-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyZWGXKIQRVDBVPK-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.61
Rot. Bonds9

About N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide

N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide (PubChem CID 113141326) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
PubChem CID113141326
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC NameN-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
SMILESCCCCCN(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-3-4-5-11-18(22(2,20)21)12-10-15(19)17-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyZWGXKIQRVDBVPK-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141371
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140376
N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
CID 171154590
3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide (CID 113141326) is N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide is CCCCCN(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
The InChIKey is ZWGXKIQRVDBVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-3-4-5-11-18(22(2,20)21)12-10-15(19)17-14-8-6-13(16)7-9-14/h6-9H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide?
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide has a molecular weight of 330.42 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide is sourced from PubChem (CID 113141326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).