(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one

C23H30N2O5S2 — CID 162400217

IUPAC(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
SMILESCCC[C@@H]1[C@@H](CCC)N(S(=O)(=O)c2ccc(C)cc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O5S2/c1-5-7-21-22(8-6-2)25(32(29,30)20-15-11-18(4)12-16-20)23(26)24(21)31(27,28)19-13-9-17(3)10-14-19/h9-16,21-22H,5-8H2,1-4H3/t21-,22-/m1/s1
InChIKeySHWALLCOGGDNJW-FGZHOGPDSA-N
MW478.64 g/mol
LogP4.46
Rot. Bonds8

About (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one

(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one (PubChem CID 162400217) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
PubChem CID162400217
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC Name(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
SMILESCCC[C@@H]1[C@@H](CCC)N(S(=O)(=O)c2ccc(C)cc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O5S2/c1-5-7-21-22(8-6-2)25(32(29,30)20-15-11-18(4)12-16-20)23(26)24(21)31(27,28)19-13-9-17(3)10-14-19/h9-16,21-22H,5-8H2,1-4H3/t21-,22-/m1/s1
InChIKeySHWALLCOGGDNJW-FGZHOGPDSA-N
XLogP4.46
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
CID 127259597
(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-propylaziridine
CID 7173720
[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methanol
CID 11334708
(4S,5S)-4-ethenyl-3-(4-methylphenyl)sulfonyl-5-propyl-1,3-oxazolidin-2-one
CID 15177618
(3R,4R)-4-bromo-2-(4-methylphenyl)sulfonyl-3-propyl-1,2-oxazolidine
CID 71615202
3-ethyl-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylazetidin-2-one
CID 19893286
2-hexyl-4-methyl-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 101156306
2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole
CID 102384611
(2S,3R)-N,N-dimethoxy-1-(4-methylphenyl)sulfonyl-3-propylaziridine-2-carboxamide
CID 11221560
4-methyl-N-[(4-methylphenyl)-[(2S,3S)-2-methyl-3-propylaziridin-1-yl]-oxo-λ6-sulfanylidene]benzenesulfonamide
CID 101367684
(2R,5R)-2,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-propyl-2,5-dihydropyrrole
CID 100960703
1-butyl-2-(4-methylphenyl)sulfonyl-3-propyldiaziridine
CID 162400285

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one?
The IUPAC name of (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one (CID 162400217) is (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one.
What is the SMILES notation for (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one?
The canonical SMILES for (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one is CCC[C@@H]1[C@@H](CCC)N(S(=O)(=O)c2ccc(C)cc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one?
The InChIKey is SHWALLCOGGDNJW-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-5-7-21-22(8-6-2)25(32(29,30)20-15-11-18(4)12-16-20)23(26)24(21)31(27,28)19-13-9-17(3)10-14-19/h9-16,21-22H,5-8H2,1-4H3/t21-,22-/m1/s1.
What are the key properties of (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one?
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one has a molecular weight of 478.64 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one is sourced from PubChem (CID 162400217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).