N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide

C15H18F3NO2S — CID 95169267

IUPACN-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)Cc1cccc(C(F)(F)F)c1)NC1CCCC1
InChIInChI=1S/C15H18F3NO2S/c16-15(17,18)12-5-3-4-11(8-12)9-22(21)10-14(20)19-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,19,20)/t22-/m0/s1
InChIKeyIXNPIYCSOYQQNJ-QFIPXVFZSA-N
MW333.38 g/mol
LogP3.01
Rot. Bonds5

About N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide

N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide (PubChem CID 95169267) has the molecular formula C15H18F3NO2S and a molecular weight of 333.38 g/mol. Its IUPAC name is N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
PubChem CID95169267
Molecular FormulaC15H18F3NO2S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC NameN-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)Cc1cccc(C(F)(F)F)c1)NC1CCCC1
InChIInChI=1S/C15H18F3NO2S/c16-15(17,18)12-5-3-4-11(8-12)9-22(21)10-14(20)19-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,19,20)/t22-/m0/s1
InChIKeyIXNPIYCSOYQQNJ-QFIPXVFZSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(R)-(3-fluorophenyl)methylsulfinyl]acetamide
CID 95169396
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
N-(2,6-dimethylphenyl)-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
CID 95169255
N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide
CID 95763029
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 60547814
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395092
N-cyclohexyl-2-[N-[2-[(R)-[2-(4-methylanilino)-2-oxoethyl]sulfinyl]acetyl]-3-(trifluoromethyl)anilino]acetamide
CID 98097390
N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide
CID 95169060
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide (CID 95169267) is N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide is O=C(C[S@@](=O)Cc1cccc(C(F)(F)F)c1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is IXNPIYCSOYQQNJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C15H18F3NO2S/c16-15(17,18)12-5-3-4-11(8-12)9-22(21)10-14(20)19-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,19,20)/t22-/m0/s1.
What are the key properties of N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide?
N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 333.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 95169267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).