N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride

C15H24ClFN2OS — CID 119642937

IUPACN-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCSc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2OS.ClH/c1-3-15(17,4-2)11-18-14(19)9-10-20-13-7-5-12(16)6-8-13;/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19);1H
InChIKeyKGSSHWWWWNHBFW-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.36
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119642937) has the molecular formula C15H24ClFN2OS and a molecular weight of 334.89 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
PubChem CID119642937
Molecular FormulaC15H24ClFN2OS
Molecular Weight334.89 g/mol
Exact Mass334.13
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCSc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2OS.ClH/c1-3-15(17,4-2)11-18-14(19)9-10-20-13-7-5-12(16)6-8-13;/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19);1H
InChIKeyKGSSHWWWWNHBFW-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119642284
N-(2-amino-2-ethylbutyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide;hydrochloride
CID 119642254
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119384723
N-(2-amino-2-ethylbutyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
CID 119642255
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 103839576
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111519812
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119641427
propyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 78907883

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride (CID 119642937) is N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCSc1ccc(F)cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is KGSSHWWWWNHBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2OS.ClH/c1-3-15(17,4-2)11-18-14(19)9-10-20-13-7-5-12(16)6-8-13;/h5-8H,3-4,9-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119642937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).