(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one

C21H26N2O11S2 — CID 57401834

IUPAC(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)N(S(=O)(=O)c3ccc(OC)cc3OC)[C@H](OC)[C@H]2OC)c(OC)c1
InChIInChI=1S/C21H26N2O11S2/c1-29-13-7-9-17(15(11-13)31-3)35(25,26)22-19(33-5)20(34-6)23(21(22)24)36(27,28)18-10-8-14(30-2)12-16(18)32-4/h7-12,19-20H,1-6H3/t19-,20-/m1/s1
InChIKeyJURCWQCGXNKBOZ-WOJBJXKFSA-N
MW546.58 g/mol
LogP1.48
Rot. Bonds10

About (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one

(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one (PubChem CID 57401834) has the molecular formula C21H26N2O11S2 and a molecular weight of 546.58 g/mol. Its IUPAC name is (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one
PubChem CID57401834
Molecular FormulaC21H26N2O11S2
Molecular Weight546.58 g/mol
Exact Mass546.10
IUPAC Name(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)N(S(=O)(=O)c3ccc(OC)cc3OC)[C@H](OC)[C@H]2OC)c(OC)c1
InChIInChI=1S/C21H26N2O11S2/c1-29-13-7-9-17(15(11-13)31-3)35(25,26)22-19(33-5)20(34-6)23(21(22)24)36(27,28)18-10-8-14(30-2)12-16(18)32-4/h7-12,19-20H,1-6H3/t19-,20-/m1/s1
InChIKeyJURCWQCGXNKBOZ-WOJBJXKFSA-N
XLogP1.48
TPSA147.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.58
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
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CID 19684107
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
3-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331910
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
CID 110740481

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one?
The IUPAC name of (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one (CID 57401834) is (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one.
What is the SMILES notation for (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one?
The canonical SMILES for (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one is COc1ccc(S(=O)(=O)N2C(=O)N(S(=O)(=O)c3ccc(OC)cc3OC)[C@H](OC)[C@H]2OC)c(OC)c1.
What is the InChIKey of (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one?
The InChIKey is JURCWQCGXNKBOZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H26N2O11S2/c1-29-13-7-9-17(15(11-13)31-3)35(25,26)22-19(33-5)20(34-6)23(21(22)24)36(27,28)18-10-8-14(30-2)12-16(18)32-4/h7-12,19-20H,1-6H3/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one?
(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one has a molecular weight of 546.58 g/mol, XLogP of 1.48, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one is sourced from PubChem (CID 57401834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).