N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide

C19H24FN5O3S — CID 21070433

IUPACN-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
SMILESCCc1ccc(F)cc1C(=O)c1cnc(N(C2CCNCC2)S(C)(=O)=O)nc1N
InChIInChI=1S/C19H24FN5O3S/c1-3-12-4-5-13(20)10-15(12)17(26)16-11-23-19(24-18(16)21)25(29(2,27)28)14-6-8-22-9-7-14/h4-5,10-11,14,22H,3,6-9H2,1-2H3,(H2,21,23,24)
InChIKeyQSVNKDYSVOVLKD-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.51
Rot. Bonds6

About N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide

N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide (PubChem CID 21070433) has the molecular formula C19H24FN5O3S and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
PubChem CID21070433
Molecular FormulaC19H24FN5O3S
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC NameN-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
SMILESCCc1ccc(F)cc1C(=O)c1cnc(N(C2CCNCC2)S(C)(=O)=O)nc1N
InChIInChI=1S/C19H24FN5O3S/c1-3-12-4-5-13(20)10-15(12)17(26)16-11-23-19(24-18(16)21)25(29(2,27)28)14-6-8-22-9-7-14/h4-5,10-11,14,22H,3,6-9H2,1-2H3,(H2,21,23,24)
InChIKeyQSVNKDYSVOVLKD-UHFFFAOYSA-N
XLogP1.51
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide 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-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide (CID 21070433) is N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide is CCc1ccc(F)cc1C(=O)c1cnc(N(C2CCNCC2)S(C)(=O)=O)nc1N.
What is the InChIKey of N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is QSVNKDYSVOVLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3S/c1-3-12-4-5-13(20)10-15(12)17(26)16-11-23-19(24-18(16)21)25(29(2,27)28)14-6-8-22-9-7-14/h4-5,10-11,14,22H,3,6-9H2,1-2H3,(H2,21,23,24).
What are the key properties of N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide?
N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 421.50 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(2-ethyl-5-fluorobenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 21070433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).