N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide

C21H28F3NO3S — CID 158422763

IUPACN-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide
SMILESO=C(CCCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)NC1CCCCC1
InChIInChI=1S/C21H28F3NO3S/c22-21(23,24)16-7-5-10-18(14-16)29(27,28)19-12-15(13-19)6-4-11-20(26)25-17-8-2-1-3-9-17/h5,7,10,14-15,17,19H,1-4,6,8-9,11-13H2,(H,25,26)
InChIKeyHARLUYVSBLJGSS-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.88
Rot. Bonds7

About N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide

N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide (PubChem CID 158422763) has the molecular formula C21H28F3NO3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide
PubChem CID158422763
Molecular FormulaC21H28F3NO3S
Molecular Weight431.52 g/mol
Exact Mass431.17
IUPAC NameN-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide
SMILESO=C(CCCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)NC1CCCCC1
InChIInChI=1S/C21H28F3NO3S/c22-21(23,24)16-7-5-10-18(14-16)29(27,28)19-12-15(13-19)6-4-11-20(26)25-17-8-2-1-3-9-17/h5,7,10,14-15,17,19H,1-4,6,8-9,11-13H2,(H,25,26)
InChIKeyHARLUYVSBLJGSS-UHFFFAOYSA-N
XLogP4.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 154259938
N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119428190
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
1-cyclohexyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 25069817
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 60547814
1-(3-fluoro-5-methoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]propan-1-one
CID 153186496
4,4-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]pentan-2-one
CID 160564942
N-cyclohexyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 25123572
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 26055553
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide?
The IUPAC name of N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide (CID 158422763) is N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide.
What is the SMILES notation for N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide?
The canonical SMILES for N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide is O=C(CCCC1CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide?
The InChIKey is HARLUYVSBLJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3NO3S/c22-21(23,24)16-7-5-10-18(14-16)29(27,28)19-12-15(13-19)6-4-11-20(26)25-17-8-2-1-3-9-17/h5,7,10,14-15,17,19H,1-4,6,8-9,11-13H2,(H,25,26).
What are the key properties of N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide?
N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide has a molecular weight of 431.52 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]butanamide is sourced from PubChem (CID 158422763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).