N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide

C23H29FN2O3S — CID 153121242

IUPACN-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
SMILESCCC/C=C\c1nc(C)ccc1CCC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H29FN2O3S/c1-5-6-7-8-21-18(10-9-16(2)25-21)12-14-23(27)17(3)19-11-13-22(20(24)15-19)26-30(4,28)29/h7-11,13,15,17,26H,5-6,12,14H2,1-4H3/b8-7-
InChIKeyVUWXHGLKSYRIQQ-FPLPWBNLSA-N
MW432.56 g/mol
LogP5.02
Rot. Bonds10

About N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide

N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide (PubChem CID 153121242) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
PubChem CID153121242
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC NameN-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide
SMILESCCC/C=C\c1nc(C)ccc1CCC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C23H29FN2O3S/c1-5-6-7-8-21-18(10-9-16(2)25-21)12-14-23(27)17(3)19-11-13-22(20(24)15-19)26-30(4,28)29/h7-11,13,15,17,26H,5-6,12,14H2,1-4H3/b8-7-
InChIKeyVUWXHGLKSYRIQQ-FPLPWBNLSA-N
XLogP5.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide (CID 153121242) is N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide is CCC/C=C\c1nc(C)ccc1CCC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide?
The InChIKey is VUWXHGLKSYRIQQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-5-6-7-8-21-18(10-9-16(2)25-21)12-14-23(27)17(3)19-11-13-22(20(24)15-19)26-30(4,28)29/h7-11,13,15,17,26H,5-6,12,14H2,1-4H3/b8-7-.
What are the key properties of N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide?
N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide has a molecular weight of 432.56 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[5-[6-methyl-2-[(Z)-pent-1-enyl]-3-pyridinyl]-3-oxopentan-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 153121242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).