2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C17H17ClF2N2OS — CID 8710371

IUPAC2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1SC(F)F)c1ccccc1Cl
InChIInChI=1S/C17H17ClF2N2OS/c1-11(12-6-2-3-7-13(12)18)21-10-16(23)22-14-8-4-5-9-15(14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyCIBVJEMJQDVCSG-LLVKDONJSA-N
MW370.85 g/mol
LogP4.94
Rot. Bonds7

About 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 8710371) has the molecular formula C17H17ClF2N2OS and a molecular weight of 370.85 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID8710371
Molecular FormulaC17H17ClF2N2OS
Molecular Weight370.85 g/mol
Exact Mass370.07
IUPAC Name2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1SC(F)F)c1ccccc1Cl
InChIInChI=1S/C17H17ClF2N2OS/c1-11(12-6-2-3-7-13(12)18)21-10-16(23)22-14-8-4-5-9-15(14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyCIBVJEMJQDVCSG-LLVKDONJSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.85
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 9306403
N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307010
N-(5-chloro-2-fluorophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306583
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9307279
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 8710371) is 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is C[C@@H](NCC(=O)Nc1ccccc1SC(F)F)c1ccccc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is CIBVJEMJQDVCSG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClF2N2OS/c1-11(12-6-2-3-7-13(12)18)21-10-16(23)22-14-8-4-5-9-15(14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 370.85 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 8710371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).