N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide

C16H21F3N2O3S — CID 113145276

IUPACN-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O3S/c1-25(23,24)21(11-10-15(22)20-13-4-2-3-5-13)14-8-6-12(7-9-14)16(17,18)19/h6-9,13H,2-5,10-11H2,1H3,(H,20,22)
InChIKeyAJFUATNOJOEZPA-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.92
Rot. Bonds6

About N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide

N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide (PubChem CID 113145276) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
PubChem CID113145276
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC NameN-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O3S/c1-25(23,24)21(11-10-15(22)20-13-4-2-3-5-13)14-8-6-12(7-9-14)16(17,18)19/h6-9,13H,2-5,10-11H2,1H3,(H,20,22)
InChIKeyAJFUATNOJOEZPA-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193
3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144351
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
CID 113145210
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide (CID 113145276) is N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide is CS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The InChIKey is AJFUATNOJOEZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c1-25(23,24)21(11-10-15(22)20-13-4-2-3-5-13)14-8-6-12(7-9-14)16(17,18)19/h6-9,13H,2-5,10-11H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide has a molecular weight of 378.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 113145276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).