3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide

C17H22F3NO4S — CID 47728241

IUPAC3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C17H22F3NO4S/c1-2-25-15-8-7-12(17(18,19)20)11-14(15)21-16(22)9-10-26(23,24)13-5-3-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,21,22)
InChIKeyNCRFURMUYLHVNB-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.79
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide

3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 47728241) has the molecular formula C17H22F3NO4S and a molecular weight of 393.43 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide
PubChem CID47728241
Molecular FormulaC17H22F3NO4S
Molecular Weight393.43 g/mol
Exact Mass393.12
IUPAC Name3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C17H22F3NO4S/c1-2-25-15-8-7-12(17(18,19)20)11-14(15)21-16(22)9-10-26(23,24)13-5-3-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,21,22)
InChIKeyNCRFURMUYLHVNB-UHFFFAOYSA-N
XLogP3.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119744019
(3R)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431517
3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
CID 43835604
N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 990969
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126776643
2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49280392
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide (CID 47728241) is 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NCRFURMUYLHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO4S/c1-2-25-15-8-7-12(17(18,19)20)11-14(15)21-16(22)9-10-26(23,24)13-5-3-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,21,22).
What are the key properties of 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide?
3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 393.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 47728241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).