[3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone

C16H23N3O5S — CID 6498826

IUPAC[3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1
InChIInChI=1S/C16H23N3O5S/c1-13-18(16(20)17-9-11-24-12-10-17)7-8-19(13)25(21,22)15-5-3-14(23-2)4-6-15/h3-6,13H,7-12H2,1-2H3
InChIKeyVGIAHUGABXHGNG-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.80
Rot. Bonds3

About [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone

[3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498826) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498826
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name[3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1
InChIInChI=1S/C16H23N3O5S/c1-13-18(16(20)17-9-11-24-12-10-17)7-8-19(13)25(21,22)15-5-3-14(23-2)4-6-15/h3-6,13H,7-12H2,1-2H3
InChIKeyVGIAHUGABXHGNG-UHFFFAOYSA-N
XLogP0.80
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498826) is [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is VGIAHUGABXHGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-13-18(16(20)17-9-11-24-12-10-17)7-8-19(13)25(21,22)15-5-3-14(23-2)4-6-15/h3-6,13H,7-12H2,1-2H3.
What are the key properties of [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 369.44 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)sulfonyl-2-methylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).