N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide

C16H19F3N2O2S — CID 55894428

IUPACN-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
SMILESO=C(CSC(F)(F)F)NCc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C16H19F3N2O2S/c17-16(18,19)24-10-14(22)20-9-11-4-3-7-13(8-11)21-15(23)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2,(H,20,22)(H,21,23)
InChIKeyCOYNVZVWDXAITK-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.68
Rot. Bonds6

About N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 55894428) has the molecular formula C16H19F3N2O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID55894428
Molecular FormulaC16H19F3N2O2S
Molecular Weight360.40 g/mol
Exact Mass360.11
IUPAC NameN-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
SMILESO=C(CSC(F)(F)F)NCc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C16H19F3N2O2S/c17-16(18,19)24-10-14(22)20-9-11-4-3-7-13(8-11)21-15(23)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2,(H,20,22)(H,21,23)
InChIKeyCOYNVZVWDXAITK-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55948883
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 119950296
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide (CID 55894428) is N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide is O=C(CSC(F)(F)F)NCc1cccc(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is COYNVZVWDXAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2S/c17-16(18,19)24-10-14(22)20-9-11-4-3-7-13(8-11)21-15(23)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 360.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 55894428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).