N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide

C14H19FN2OS — CID 166261418

IUPACN-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCC(Sc1ccc(F)cc1)C(=O)N(C)C1CC(N)C1
InChIInChI=1S/C14H19FN2OS/c1-9(19-13-5-3-10(15)4-6-13)14(18)17(2)12-7-11(16)8-12/h3-6,9,11-12H,7-8,16H2,1-2H3
InChIKeyWMVVXMMPATUICH-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.25
Rot. Bonds4

About N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide

N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 166261418) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
PubChem CID166261418
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC NameN-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCC(Sc1ccc(F)cc1)C(=O)N(C)C1CC(N)C1
InChIInChI=1S/C14H19FN2OS/c1-9(19-13-5-3-10(15)4-6-13)14(18)17(2)12-7-11(16)8-12/h3-6,9,11-12H,7-8,16H2,1-2H3
InChIKeyWMVVXMMPATUICH-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 8740701
(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 170897786
N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 132760057
2-(4-fluorophenyl)sulfanylpropanoic acid
CID 11820095
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 119552617
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550046
2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 134046656
N-methyl-2-(4-methylphenyl)sulfanyl-N-[4-(prop-2-enoylamino)cyclohexyl]propanamide
CID 154875310
2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 43304318
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 87025690
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide (CID 166261418) is N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide is CC(Sc1ccc(F)cc1)C(=O)N(C)C1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is WMVVXMMPATUICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-9(19-13-5-3-10(15)4-6-13)14(18)17(2)12-7-11(16)8-12/h3-6,9,11-12H,7-8,16H2,1-2H3.
What are the key properties of N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide?
N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 282.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 166261418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).