(2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide

C24H23F3N6O4S — CID 122686097

IUPAC(2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide
SMILESC[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N(C)C)n1
InChIInChI=1S/C24H23F3N6O4S/c1-14(32-38(35,36)21-10-16-12-28-9-8-20(16)37-21)22(34)29-13-18-11-19(31-23(30-18)33(2)3)15-4-6-17(7-5-15)24(25,26)27/h4-12,14,32H,13H2,1-3H3,(H,29,34)/t14-/m0/s1
InChIKeyFPNTZVOPNKNEFU-AWEZNQCLSA-N
MW548.55 g/mol
LogP3.35
Rot. Bonds8

About (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide

(2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide (PubChem CID 122686097) has the molecular formula C24H23F3N6O4S and a molecular weight of 548.55 g/mol. Its IUPAC name is (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide
PubChem CID122686097
Molecular FormulaC24H23F3N6O4S
Molecular Weight548.55 g/mol
Exact Mass548.15
IUPAC Name(2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide
SMILESC[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N(C)C)n1
InChIInChI=1S/C24H23F3N6O4S/c1-14(32-38(35,36)21-10-16-12-28-9-8-20(16)37-21)22(34)29-13-18-11-19(31-23(30-18)33(2)3)15-4-6-17(7-5-15)24(25,26)27/h4-12,14,32H,13H2,1-3H3,(H,29,34)/t14-/m0/s1
InChIKeyFPNTZVOPNKNEFU-AWEZNQCLSA-N
XLogP3.35
TPSA130.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.55
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide 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 (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide?
The IUPAC name of (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide (CID 122686097) is (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide.
What is the SMILES notation for (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide?
The canonical SMILES for (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide is C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N(C)C)n1.
What is the InChIKey of (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide?
The InChIKey is FPNTZVOPNKNEFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23F3N6O4S/c1-14(32-38(35,36)21-10-16-12-28-9-8-20(16)37-21)22(34)29-13-18-11-19(31-23(30-18)33(2)3)15-4-6-17(7-5-15)24(25,26)27/h4-12,14,32H,13H2,1-3H3,(H,29,34)/t14-/m0/s1.
What are the key properties of (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide?
(2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide has a molecular weight of 548.55 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 122686097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).