N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide

C24H27FN2O2S — CID 143179174

IUPACN-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide
SMILESCCC(C)c1cncc(C(c2ccccc2)C(NS(C)(=O)=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H27FN2O2S/c1-4-17(2)20-14-21(16-26-15-20)23(18-8-6-5-7-9-18)24(27-30(3,28)29)19-10-12-22(25)13-11-19/h5-17,23-24,27H,4H2,1-3H3
InChIKeyAHYOJDLFYOTSOP-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.16
Rot. Bonds8

About N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide

N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide (PubChem CID 143179174) has the molecular formula C24H27FN2O2S and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide
PubChem CID143179174
Molecular FormulaC24H27FN2O2S
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC NameN-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide
SMILESCCC(C)c1cncc(C(c2ccccc2)C(NS(C)(=O)=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H27FN2O2S/c1-4-17(2)20-14-21(16-26-15-20)23(18-8-6-5-7-9-18)24(27-30(3,28)29)19-10-12-22(25)13-11-19/h5-17,23-24,27H,4H2,1-3H3
InChIKeyAHYOJDLFYOTSOP-UHFFFAOYSA-N
XLogP5.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide (CID 143179174) is N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide is CCC(C)c1cncc(C(c2ccccc2)C(NS(C)(=O)=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide?
The InChIKey is AHYOJDLFYOTSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2S/c1-4-17(2)20-14-21(16-26-15-20)23(18-8-6-5-7-9-18)24(27-30(3,28)29)19-10-12-22(25)13-11-19/h5-17,23-24,27H,4H2,1-3H3.
What are the key properties of N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide?
N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide is sourced from PubChem (CID 143179174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).