[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone

C20H22FN3O4S — CID 8768152

IUPAC[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H22FN3O4S/c21-17-6-8-18(9-7-17)29(26,27)24-11-10-23(19(24)16-4-2-1-3-5-16)20(25)22-12-14-28-15-13-22/h1-9,19H,10-15H2/t19-/m1/s1
InChIKeyCRKRXEVPQRBSFZ-LJQANCHMSA-N
MW419.48 g/mol
LogP2.28
Rot. Bonds3

About [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone

[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 8768152) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID8768152
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H22FN3O4S/c21-17-6-8-18(9-7-17)29(26,27)24-11-10-23(19(24)16-4-2-1-3-5-16)20(25)22-12-14-28-15-13-22/h1-9,19H,10-15H2/t19-/m1/s1
InChIKeyCRKRXEVPQRBSFZ-LJQANCHMSA-N
XLogP2.28
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
[(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 7450016
(NZ)-N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
CID 6177409
N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
CID 4656786
1-[(2R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 28565527
3-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-phenylimidazolidine-1-carboxamide
CID 17340702
morpholin-4-yl-(2-phenylpiperazin-1-yl)methanone
CID 128846745
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine
CID 155269127
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 8768152) is [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is CRKRXEVPQRBSFZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c21-17-6-8-18(9-7-17)29(26,27)24-11-10-23(19(24)16-4-2-1-3-5-16)20(25)22-12-14-28-15-13-22/h1-9,19H,10-15H2/t19-/m1/s1.
What are the key properties of [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 419.48 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 8768152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).