N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide

C21H25FN2O4S — CID 4883359

IUPACN-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C21H25FN2O4S/c1-15(21(25)23-16-7-3-4-8-16)28-18-13-11-17(12-14-18)24(2)29(26,27)20-10-6-5-9-19(20)22/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,23,25)
InChIKeyJVXIMZYDYOMHMH-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.48
Rot. Bonds7

About N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide

N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide (PubChem CID 4883359) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
PubChem CID4883359
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C21H25FN2O4S/c1-15(21(25)23-16-7-3-4-8-16)28-18-13-11-17(12-14-18)24(2)29(26,27)20-10-6-5-9-19(20)22/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,23,25)
InChIKeyJVXIMZYDYOMHMH-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
CID 17427987
(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100677106
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
CID 51174549
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
CID 95397525
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668
N-cyclopentyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719756

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide (CID 4883359) is N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide is CC(Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide?
The InChIKey is JVXIMZYDYOMHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-15(21(25)23-16-7-3-4-8-16)28-18-13-11-17(12-14-18)24(2)29(26,27)20-10-6-5-9-19(20)22/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide?
N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide has a molecular weight of 420.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide is sourced from PubChem (CID 4883359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).