N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide

C14H21FN2O3S — CID 53285843

IUPACN-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-4-5-10-16-14(18)11(2)17(21(3,19)20)13-9-7-6-8-12(13)15/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyZGQHUFGQXCKTSF-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.90
Rot. Bonds7

About N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide

N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 53285843) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID53285843
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCCCNC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-4-5-10-16-14(18)11(2)17(21(3,19)20)13-9-7-6-8-12(13)15/h6-9,11H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyZGQHUFGQXCKTSF-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.90
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

2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132664350
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53285782
N-(2-tert-butylsulfanylethyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285821
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99131913
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 99131849
N-[3-(4-ethoxyphenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132666864
(2S)-N-[(4-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131911
2-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 53285778
N-[[4-(diethylamino)phenyl]methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 133228197
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165321
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132667453

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide (CID 53285843) is N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide is CCCCNC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is ZGQHUFGQXCKTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-4-5-10-16-14(18)11(2)17(21(3,19)20)13-9-7-6-8-12(13)15/h6-9,11H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide?
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 53285843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).