N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C22H23FN4O4S — CID 40974810

IUPACN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C22H23FN4O4S/c1-15-12-26(13-16(2)31-15)32(29,30)20-9-5-18(6-10-20)25-22(28)21-11-24-14-27(21)19-7-3-17(23)4-8-19/h3-11,14-16H,12-13H2,1-2H3,(H,25,28)/t15-,16-/m1/s1
InChIKeyMXFYKTUFXFUQBA-HZPDHXFCSA-N
MW458.52 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 40974810) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID40974810
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC NameN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C22H23FN4O4S/c1-15-12-26(13-16(2)31-15)32(29,30)20-9-5-18(6-10-20)25-22(28)21-11-24-14-27(21)19-7-3-17(23)4-8-19/h3-11,14-16H,12-13H2,1-2H3,(H,25,28)/t15-,16-/m1/s1
InChIKeyMXFYKTUFXFUQBA-HZPDHXFCSA-N
XLogP3.06
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 42278901
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 51931352
3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
CID 17461227
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-fluorobenzamide
CID 51152550
(E)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 42907834
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 40974810) is N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)C[C@@H](C)O1.
What is the InChIKey of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is MXFYKTUFXFUQBA-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c1-15-12-26(13-16(2)31-15)32(29,30)20-9-5-18(6-10-20)25-22(28)21-11-24-14-27(21)19-7-3-17(23)4-8-19/h3-11,14-16H,12-13H2,1-2H3,(H,25,28)/t15-,16-/m1/s1.
What are the key properties of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 40974810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).