(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide

C14H20F2N2O2S — CID 104907136

IUPAC(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O2S/c1-9(18-13(19)12(17)6-7-21-2)10-4-3-5-11(8-10)20-14(15)16/h3-5,8-9,12,14H,6-7,17H2,1-2H3,(H,18,19)/t9?,12-/m1/s1
InChIKeyVOKTYKDQGMSEJT-FFFFSGIJSA-N
MW318.39 g/mol
LogP2.55
Rot. Bonds8

About (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide (PubChem CID 104907136) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide
PubChem CID104907136
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O2S/c1-9(18-13(19)12(17)6-7-21-2)10-4-3-5-11(8-10)20-14(15)16/h3-5,8-9,12,14H,6-7,17H2,1-2H3,(H,18,19)/t9?,12-/m1/s1
InChIKeyVOKTYKDQGMSEJT-FFFFSGIJSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 104907254
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
(2S)-2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119311563
2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119269340
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060
2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 65225924
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667280
(2R)-2-amino-4-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 104907286
(2S)-2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-4-methylsulfanylbutanamide
CID 119328598
(2S)-2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119328597

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide (CID 104907136) is (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide?
The InChIKey is VOKTYKDQGMSEJT-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-9(18-13(19)12(17)6-7-21-2)10-4-3-5-11(8-10)20-14(15)16/h3-5,8-9,12,14H,6-7,17H2,1-2H3,(H,18,19)/t9?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide has a molecular weight of 318.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).