N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide

C18H21FN2OS — CID 119527961

IUPACN-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C18H21FN2OS/c1-13(12-23-16-9-7-15(19)8-10-16)18(22)21-11-17(20)14-5-3-2-4-6-14/h2-10,13,17H,11-12,20H2,1H3,(H,21,22)
InChIKeyCFCILLPNRZNFTA-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.37
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide

N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide (PubChem CID 119527961) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
PubChem CID119527961
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C18H21FN2OS/c1-13(12-23-16-9-7-15(19)8-10-16)18(22)21-11-17(20)14-5-3-2-4-6-14/h2-10,13,17H,11-12,20H2,1H3,(H,21,22)
InChIKeyCFCILLPNRZNFTA-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
N-[2-(ethylamino)ethyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119505771
2-[[3-(4-fluorophenyl)sulfanyl-2-methylpropanoyl]amino]propanoic acid
CID 119349017
N-(2-amino-2-phenylethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119529197
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide
CID 114221825
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
CID 79217340
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119606341
N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119527437
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 3441415
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide (CID 119527961) is N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide is CC(CSc1ccc(F)cc1)C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
The InChIKey is CFCILLPNRZNFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-13(12-23-16-9-7-15(19)8-10-16)18(22)21-11-17(20)14-5-3-2-4-6-14/h2-10,13,17H,11-12,20H2,1H3,(H,21,22).
What are the key properties of N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide?
N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide has a molecular weight of 332.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 119527961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).