N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

C19H21F3N2OS — CID 39991641

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H21F3N2OS/c1-12(2)18(13-3-5-14(20)6-4-13)23-11-17(25)24-15-7-9-16(10-8-15)26-19(21)22/h3-10,12,18-19,23H,11H2,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyXNAWGSVMMQJFRB-GOSISDBHSA-N
MW382.45 g/mol
LogP5.07
Rot. Bonds8

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 39991641) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID39991641
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H21F3N2OS/c1-12(2)18(13-3-5-14(20)6-4-13)23-11-17(25)24-15-7-9-16(10-8-15)26-19(21)22/h3-10,12,18-19,23H,11H2,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyXNAWGSVMMQJFRB-GOSISDBHSA-N
XLogP5.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9335414
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133410
N-(2,6-diethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133408
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 94471434
N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133316
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954667
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (CID 39991641) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is CC(C)[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is XNAWGSVMMQJFRB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c1-12(2)18(13-3-5-14(20)6-4-13)23-11-17(25)24-15-7-9-16(10-8-15)26-19(21)22/h3-10,12,18-19,23H,11H2,1-2H3,(H,24,25)/t18-/m1/s1.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 382.45 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 39991641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).