[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

C16H23N3O4S — CID 3241896

IUPAC[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1
InChIInChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)19-8-7-18(14(19)2)16(20)17-9-11-23-12-10-17/h3-6,14H,7-12H2,1-2H3
InChIKeyZJRZONWPQBLVMG-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.10
Rot. Bonds2

About [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 3241896) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID3241896
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1
InChIInChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)19-8-7-18(14(19)2)16(20)17-9-11-23-12-10-17/h3-6,14H,7-12H2,1-2H3
InChIKeyZJRZONWPQBLVMG-UHFFFAOYSA-N
XLogP1.10
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 3241896) is [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1.
What is the InChIKey of [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ZJRZONWPQBLVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)19-8-7-18(14(19)2)16(20)17-9-11-23-12-10-17/h3-6,14H,7-12H2,1-2H3.
What are the key properties of [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 353.44 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3241896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).