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

C23H29FN2O4S — CID 17427987

IUPACN-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C23H29FN2O4S/c1-17(23(27)25-19-7-5-3-4-6-8-19)30-21-13-11-20(12-14-21)26(2)31(28,29)22-15-9-18(24)10-16-22/h9-17,19H,3-8H2,1-2H3,(H,25,27)
InChIKeyVAXSXMZZWSKCAC-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.26
Rot. Bonds7

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

N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide (PubChem CID 17427987) has the molecular formula C23H29FN2O4S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
PubChem CID17427987
Molecular FormulaC23H29FN2O4S
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC NameN-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C23H29FN2O4S/c1-17(23(27)25-19-7-5-3-4-6-8-19)30-21-13-11-20(12-14-21)26(2)31(28,29)22-15-9-18(24)10-16-22/h9-17,19H,3-8H2,1-2H3,(H,25,27)
InChIKeyVAXSXMZZWSKCAC-UHFFFAOYSA-N
XLogP4.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100677106
N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
CID 4883359
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
(2S)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480667
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668
N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
CID 51174549
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935817
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935810
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
CID 95397525
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide?
The IUPAC name of N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide (CID 17427987) is N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide.
What is the SMILES notation for N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide?
The canonical SMILES for N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide is CC(Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide?
The InChIKey is VAXSXMZZWSKCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4S/c1-17(23(27)25-19-7-5-3-4-6-8-19)30-21-13-11-20(12-14-21)26(2)31(28,29)22-15-9-18(24)10-16-22/h9-17,19H,3-8H2,1-2H3,(H,25,27).
What are the key properties of N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide?
N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide has a molecular weight of 448.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide is sourced from PubChem (CID 17427987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).