N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide

C12H17FN2O3S — CID 113147567

IUPACN-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-3-8-15(19(2,17)18)9-12(16)14-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyZDLGUAYENCBTPX-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.44
Rot. Bonds6

About N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide

N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide (PubChem CID 113147567) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
PubChem CID113147567
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-3-8-15(19(2,17)18)9-12(16)14-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyZDLGUAYENCBTPX-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
CID 113148397
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 113151047
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
methyl 3-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147599
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide (CID 113147567) is N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The InChIKey is ZDLGUAYENCBTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-3-8-15(19(2,17)18)9-12(16)14-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide has a molecular weight of 288.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 113147567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).