2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

C17H18F2N2OS — CID 9376746

IUPAC2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2OS/c1-11(12-7-8-13(18)14(19)9-12)20-10-17(22)21-15-5-3-4-6-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyPWARCHFZUMZSTD-NSHDSACASA-N
MW336.41 g/mol
LogP3.98
Rot. Bonds6

About 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 9376746) has the molecular formula C17H18F2N2OS and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID9376746
Molecular FormulaC17H18F2N2OS
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2OS/c1-11(12-7-8-13(18)14(19)9-12)20-10-17(22)21-15-5-3-4-6-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyPWARCHFZUMZSTD-NSHDSACASA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376956
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 40939435
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (CID 9376746) is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is PWARCHFZUMZSTD-NSHDSACASA-N. The full InChI is InChI=1S/C17H18F2N2OS/c1-11(12-7-8-13(18)14(19)9-12)20-10-17(22)21-15-5-3-4-6-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9376746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).