(3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide

C100H126F2N20O24S4 — CID 158494716

IUPAC(3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide
SMILESCCCCc1nc(O)c(NS(=O)(=O)C[C@@H](C)c2ncc(C)cn2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)C[C@H](C)c2ncc(C)cn2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)[C@@H]2CCCN(c3ccc(F)cn3)C2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)[C@H]2CCCN(c3ccc(F)cn3)C2)c(=O)n1-c1c(OC)cccc1OC
InChIInChI=1S/2C26H32FN5O6S.2C24H31N5O6S/c2*1-4-5-11-22-29-25(33)23(26(34)32(22)24-19(37-2)9-6-10-20(24)38-3)30-39(35,36)18-8-7-14-31(16-18)21-13-12-17(27)15-28-21;2*1-6-7-11-19-27-23(30)20(24(31)29(19)21-17(34-4)9-8-10-18(21)35-5)28-36(32,33)14-16(3)22-25-12-15(2)13-26-22/h2*6,9-10,12-13,15,18,30,33H,4-5,7-8,11,14,16H2,1-3H3;2*8-10,12-13,16,28,30H,6-7,11,14H2,1-5H3/t2*18-;2*16-/m1010/s1
InChIKeyHJDFGMGZRMPKPL-NMZJLOSQSA-N
MW2158.49 g/mol
LogP12.37
Rot. Bonds42

About (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide

(3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide (PubChem CID 158494716) has the molecular formula C100H126F2N20O24S4 and a molecular weight of 2158.49 g/mol. Its IUPAC name is (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide
PubChem CID158494716
Molecular FormulaC100H126F2N20O24S4
Molecular Weight2158.49 g/mol
Exact Mass2156.81
IUPAC Name(3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide
SMILESCCCCc1nc(O)c(NS(=O)(=O)C[C@@H](C)c2ncc(C)cn2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)C[C@H](C)c2ncc(C)cn2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)[C@@H]2CCCN(c3ccc(F)cn3)C2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)[C@H]2CCCN(c3ccc(F)cn3)C2)c(=O)n1-c1c(OC)cccc1OC
InChIInChI=1S/2C26H32FN5O6S.2C24H31N5O6S/c2*1-4-5-11-22-29-25(33)23(26(34)32(22)24-19(37-2)9-6-10-20(24)38-3)30-39(35,36)18-8-7-14-31(16-18)21-13-12-17(27)15-28-21;2*1-6-7-11-19-27-23(30)20(24(31)29(19)21-17(34-4)9-8-10-18(21)35-5)28-36(32,33)14-16(3)22-25-12-15(2)13-26-22/h2*6,9-10,12-13,15,18,30,33H,4-5,7-8,11,14,16H2,1-3H3;2*8-10,12-13,16,28,30H,6-7,11,14H2,1-5H3/t2*18-;2*16-/m1010/s1
InChIKeyHJDFGMGZRMPKPL-NMZJLOSQSA-N
XLogP12.37
TPSA562.82 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.49
LogP ≤ 512.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide with MolForge

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Related Compounds

(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
CID 153206939
(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 158687165
N-[1-(2,6-dimethoxyphenyl)-4-hydroxy-2-(3-methoxypropyl)-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
CID 159992897
N-[1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxo-2-pentan-2-ylpyrimidin-5-yl]-2-(5-fluoropyrimidin-2-yl)ethanesulfonamide
CID 166691612
2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxy-5-(3-pyridin-2-ylpyrrolidine-1-carbonyl)pyrimidin-4-one
CID 137197871
2-butyl-5-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
CID 137197878
2-butyl-3-(2,6-dimethoxyphenyl)-5-[3-fluoro-4-(4-fluorophenyl)phenyl]sulfonyl-6-hydroxypyrimidin-4-one
CID 138697868
2-butyl-3-(2,6-dimethoxyphenyl)-5-[4-(5-fluoro-3-pyridinyl)phenyl]sulfonyl-6-hydroxypyrimidin-4-one
CID 138697874
N-[2-butyl-4-hydroxy-1-[2-methoxy-1-(oxan-4-yl)ethyl]-6-oxopyrimidin-5-yl]-2-(5-fluoropyrimidin-2-yl)ethanesulfonamide
CID 166691609
(2S)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 134543298
2-butyl-5-(4-tert-butylphenyl)sulfonyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
CID 138698291
2-butyl-5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
CID 137197990

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide?
The IUPAC name of (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide (CID 158494716) is (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide.
What is the SMILES notation for (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide?
The canonical SMILES for (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide is CCCCc1nc(O)c(NS(=O)(=O)C[C@@H](C)c2ncc(C)cn2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)C[C@H](C)c2ncc(C)cn2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)[C@@H]2CCCN(c3ccc(F)cn3)C2)c(=O)n1-c1c(OC)cccc1OC.CCCCc1nc(O)c(NS(=O)(=O)[C@H]2CCCN(c3ccc(F)cn3)C2)c(=O)n1-c1c(OC)cccc1OC.
What is the InChIKey of (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide?
The InChIKey is HJDFGMGZRMPKPL-NMZJLOSQSA-N. The full InChI is InChI=1S/2C26H32FN5O6S.2C24H31N5O6S/c2*1-4-5-11-22-29-25(33)23(26(34)32(22)24-19(37-2)9-6-10-20(24)38-3)30-39(35,36)18-8-7-14-31(16-18)21-13-12-17(27)15-28-21;2*1-6-7-11-19-27-23(30)20(24(31)29(19)21-17(34-4)9-8-10-18(21)35-5)28-36(32,33)14-16(3)22-25-12-15(2)13-26-22/h2*6,9-10,12-13,15,18,30,33H,4-5,7-8,11,14,16H2,1-3H3;2*8-10,12-13,16,28,30H,6-7,11,14H2,1-5H3/t2*18-;2*16-/m1010/s1.
What are the key properties of (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide?
(3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide has a molecular weight of 2158.49 g/mol, XLogP of 12.37, 42 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(3S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-1-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide;(2S)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide;(2R)-N-[2-butyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]-2-(5-methylpyrimidin-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 158494716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).