N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

C14H24F3NO3S — CID 78883990

IUPACN-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H24F3NO3S/c1-2-3-9-18(11-14(15,16)17)13(19)8-10-22(20,21)12-6-4-5-7-12/h12H,2-11H2,1H3
InChIKeyJQPAQVBILHWYTC-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.92
Rot. Bonds8

About N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78883990) has the molecular formula C14H24F3NO3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78883990
Molecular FormulaC14H24F3NO3S
Molecular Weight343.41 g/mol
Exact Mass343.14
IUPAC NameN-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H24F3NO3S/c1-2-3-9-18(11-14(15,16)17)13(19)8-10-22(20,21)12-6-4-5-7-12/h12H,2-11H2,1H3
InChIKeyJQPAQVBILHWYTC-UHFFFAOYSA-N
XLogP2.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentylsulfonyl-N,N-diethylpropanamide
CID 45826577
4,4-Difluoro-1-[3-(methylsulfonyl)propanoyl]piperidine
CID 131909577
2-cyclopentylsulfonyl-1-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 164642748
4-Ethylsulfonyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
CID 175932016
N-(2,2-dimethylpropyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 56826276
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroacetamide
CID 60707461
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
CID 63374753
4,4,4-trifluoro-N-methyl-N-(2-methylsulfonylcyclopentyl)butanamide
CID 71973318
2-cyclopentylsulfonyl-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 72043031
N-ethyl-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78865471
N-(2-methylpropyl)-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78882883
N-(2-methylpropyl)-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78882937

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78883990) is N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JQPAQVBILHWYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3S/c1-2-3-9-18(11-14(15,16)17)13(19)8-10-22(20,21)12-6-4-5-7-12/h12H,2-11H2,1H3.
What are the key properties of N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyclopentylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78883990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).