4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C24H27FN4O4S — CID 25406619

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)cc2)C[C@H](C)O1
InChIInChI=1S/C24H27FN4O4S/c1-16-14-29(15-17(2)33-16)34(31,32)21-9-7-18(8-10-21)24(30)27-22(23-26-11-12-28(23)3)19-5-4-6-20(25)13-19/h4-13,16-17,22H,14-15H2,1-3H3,(H,27,30)/t16-,17+,22-/m0/s1
InChIKeyUVGVJDJXLMKSHT-JKSBSHDWSA-N
MW486.57 g/mol
LogP2.88
Rot. Bonds6

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 25406619) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID25406619
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)cc2)C[C@H](C)O1
InChIInChI=1S/C24H27FN4O4S/c1-16-14-29(15-17(2)33-16)34(31,32)21-9-7-18(8-10-21)24(30)27-22(23-26-11-12-28(23)3)19-5-4-6-20(25)13-19/h4-13,16-17,22H,14-15H2,1-3H3,(H,27,30)/t16-,17+,22-/m0/s1
InChIKeyUVGVJDJXLMKSHT-JKSBSHDWSA-N
XLogP2.88
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 31359845
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 37281759
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46698449
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 31502802
4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25330322
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 40939581
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 46513046

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 25406619) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)cc2)C[C@H](C)O1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is UVGVJDJXLMKSHT-JKSBSHDWSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-16-14-29(15-17(2)33-16)34(31,32)21-9-7-18(8-10-21)24(30)27-22(23-26-11-12-28(23)3)19-5-4-6-20(25)13-19/h4-13,16-17,22H,14-15H2,1-3H3,(H,27,30)/t16-,17+,22-/m0/s1.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 486.57 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 25406619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).