N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide

C14H21FN2O3S — CID 113153470

IUPACN-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
SMILESCCCCCN(CC(=O)Nc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-3-4-7-10-17(21(2,19)20)11-14(18)16-13-9-6-5-8-12(13)15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18)
InChIKeyZRNCLCSTIZBPDR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.22
Rot. Bonds8

About N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide

N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide (PubChem CID 113153470) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
PubChem CID113153470
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
SMILESCCCCCN(CC(=O)Nc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-3-4-7-10-17(21(2,19)20)11-14(18)16-13-9-6-5-8-12(13)15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18)
InChIKeyZRNCLCSTIZBPDR-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.22
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

3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736
2-[ethylsulfonyl(methyl)amino]-N-(2-fluorophenyl)acetamide
CID 99818124
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(2-fluorophenyl)acetamide
CID 113149178
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
2-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113148410
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153482
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
CID 113148397
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008384
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150212

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide (CID 113153470) is N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide is CCCCCN(CC(=O)Nc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide?
The InChIKey is ZRNCLCSTIZBPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-3-4-7-10-17(21(2,19)20)11-14(18)16-13-9-6-5-8-12(13)15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide?
N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide is sourced from PubChem (CID 113153470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).