N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide

C21H28FN5O3S — CID 92624253

IUPACN-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C21H28FN5O3S/c1-15(28)26(4)14-17-13-20(25(2)3)24-21(23-17)19-7-5-6-12-27(19)31(29,30)18-10-8-16(22)9-11-18/h8-11,13,19H,5-7,12,14H2,1-4H3/t19-/m0/s1
InChIKeyPOAGBZWDEKHOBR-IBGZPJMESA-N
MW449.55 g/mol
LogP2.58
Rot. Bonds6

About N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide

N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide (PubChem CID 92624253) has the molecular formula C21H28FN5O3S and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
PubChem CID92624253
Molecular FormulaC21H28FN5O3S
Molecular Weight449.55 g/mol
Exact Mass449.19
IUPAC NameN-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C21H28FN5O3S/c1-15(28)26(4)14-17-13-20(25(2)3)24-21(23-17)19-7-5-6-12-27(19)31(29,30)18-10-8-16(22)9-11-18/h8-11,13,19H,5-7,12,14H2,1-4H3/t19-/m0/s1
InChIKeyPOAGBZWDEKHOBR-IBGZPJMESA-N
XLogP2.58
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[6-(dimethylamino)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624254
N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259592
N-[[2-[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624187
N-[[2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624317
N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110092328
N-[[2-[(2R)-1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624328
N-[[6-(dimethylamino)-2-[(2S)-1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624323
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine
CID 57164014
N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide
CID 110259530
2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 110259639
2-[3-(bromomethyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine
CID 68846672
1-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]butane-1,3-dione
CID 90796084

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide (CID 92624253) is N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is POAGBZWDEKHOBR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28FN5O3S/c1-15(28)26(4)14-17-13-20(25(2)3)24-21(23-17)19-7-5-6-12-27(19)31(29,30)18-10-8-16(22)9-11-18/h8-11,13,19H,5-7,12,14H2,1-4H3/t19-/m0/s1.
What are the key properties of N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide?
N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 449.55 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 92624253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).