2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C17H17ClF2N2OS — CID 9335414

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2N2OS/c1-11(12-2-4-13(18)5-3-12)21-10-16(23)22-14-6-8-15(9-7-14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyAAPOPLIKPRVMFA-NSHDSACASA-N
MW370.85 g/mol
LogP4.94
Rot. Bonds7

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 9335414) has the molecular formula C17H17ClF2N2OS and a molecular weight of 370.85 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID9335414
Molecular FormulaC17H17ClF2N2OS
Molecular Weight370.85 g/mol
Exact Mass370.07
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2N2OS/c1-11(12-2-4-13(18)5-3-12)21-10-16(23)22-14-6-8-15(9-7-14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyAAPOPLIKPRVMFA-NSHDSACASA-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

N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium
CID 9335413
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 39991641
(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
CID 7944876
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043932
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 9335414) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is C[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is AAPOPLIKPRVMFA-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClF2N2OS/c1-11(12-2-4-13(18)5-3-12)21-10-16(23)22-14-6-8-15(9-7-14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(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-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 9335414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).