(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide

C19H23FN2OS — CID 11695925

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide
SMILESCSc1ccccc1CN(C)C(=O)C[C@H](N)Cc1ccccc1F
InChIInChI=1S/C19H23FN2OS/c1-22(13-15-8-4-6-10-18(15)24-2)19(23)12-16(21)11-14-7-3-5-9-17(14)20/h3-10,16H,11-13,21H2,1-2H3/t16-/m1/s1
InChIKeyCLAJSWMWQLXULK-MRXNPFEDSA-N
MW346.47 g/mol
LogP3.47
Rot. Bonds7

About (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide

(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide (PubChem CID 11695925) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide
PubChem CID11695925
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide
SMILESCSc1ccccc1CN(C)C(=O)C[C@H](N)Cc1ccccc1F
InChIInChI=1S/C19H23FN2OS/c1-22(13-15-8-4-6-10-18(15)24-2)19(23)12-16(21)11-14-7-3-5-9-17(14)20/h3-10,16H,11-13,21H2,1-2H3/t16-/m1/s1
InChIKeyCLAJSWMWQLXULK-MRXNPFEDSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
tert-butyl N-[1-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutan-2-yl]carbamate
CID 69489029
N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 122144252
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 122144255
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide (CID 11695925) is (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide is CSc1ccccc1CN(C)C(=O)C[C@H](N)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide?
The InChIKey is CLAJSWMWQLXULK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-22(13-15-8-4-6-10-18(15)24-2)19(23)12-16(21)11-14-7-3-5-9-17(14)20/h3-10,16H,11-13,21H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide?
(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide has a molecular weight of 346.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide is sourced from PubChem (CID 11695925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).