(2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide

C25H28FN3O4S — CID 58581637

IUPAC(2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1cnc(-c2ccc(F)cc2)n(CCS(=O)(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C25H28FN3O4S/c1-3-18(2)24(30)28-22-17-27-23(20-9-11-21(26)12-10-20)29(25(22)31)14-16-34(32,33)15-13-19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,28,30)/t18-/m1/s1
InChIKeyYIFYGBVKUMGGEO-GOSISDBHSA-N
MW485.58 g/mol
LogP3.69
Rot. Bonds10

About (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide

(2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide (PubChem CID 58581637) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide
PubChem CID58581637
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC Name(2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1cnc(-c2ccc(F)cc2)n(CCS(=O)(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C25H28FN3O4S/c1-3-18(2)24(30)28-22-17-27-23(20-9-11-21(26)12-10-20)29(25(22)31)14-16-34(32,33)15-13-19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,28,30)/t18-/m1/s1
InChIKeyYIFYGBVKUMGGEO-GOSISDBHSA-N
XLogP3.69
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide 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

2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[2-methyl-1-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-propyl]-acetamide
CID 44267097
N-(4-Carbamimidoyl-3-fluoro-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 10277810
2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 44267176
2-(5-methylsulfonylamino-6-oxo-2-phenyl-1,6-dihydro-1-pyrimidinyl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
CID 19787881
2-[2-(4-fluorophenyl)-5-(methanesulfonamido)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 19787890
2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
CID 21851492
(2S)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-(methylamino)propanamide
CID 25109460
(2S)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfanyl)ethyl]pyrimidin-5-yl]-2-(methylamino)propanamide
CID 25109522
(2S)-N-[2-(4-fluorophenyl)-1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-(methylamino)propanamide
CID 25109804
(2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfanyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide
CID 58581543
(2R)-N-[2-(4-fluorophenyl)-1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-6-oxopyrimidin-5-yl]-2-methylbutanamide
CID 58581640
(2R)-N-[1-[2-[bis(2-phenylethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidin-5-yl]-2-methylbutanamide
CID 58581648

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide (CID 58581637) is (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide is CC[C@@H](C)C(=O)Nc1cnc(-c2ccc(F)cc2)n(CCS(=O)(=O)CCc2ccccc2)c1=O.
What is the InChIKey of (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide?
The InChIKey is YIFYGBVKUMGGEO-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-3-18(2)24(30)28-22-17-27-23(20-9-11-21(26)12-10-20)29(25(22)31)14-16-34(32,33)15-13-19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,28,30)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide?
(2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide has a molecular weight of 485.58 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-fluorophenyl)-6-oxo-1-[2-(2-phenylethylsulfonyl)ethyl]pyrimidin-5-yl]-2-methylbutanamide is sourced from PubChem (CID 58581637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).