[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

C17H25N3O4S — CID 6498825

IUPAC[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N3CCOCC3)C2C)cc1
InChIInChI=1S/C17H25N3O4S/c1-13-4-6-16(7-5-13)25(22,23)19-12-14(2)20(15(19)3)17(21)18-8-10-24-11-9-18/h4-7,14-15H,8-12H2,1-3H3
InChIKeyLERQAYLUCXNVHR-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.49
Rot. Bonds2

About [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498825) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498825
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N3CCOCC3)C2C)cc1
InChIInChI=1S/C17H25N3O4S/c1-13-4-6-16(7-5-13)25(22,23)19-12-14(2)20(15(19)3)17(21)18-8-10-24-11-9-18/h4-7,14-15H,8-12H2,1-3H3
InChIKeyLERQAYLUCXNVHR-UHFFFAOYSA-N
XLogP1.49
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-[(4-methylphenyl)sulfonyl]imidazolidine-1-carboxylate
CID 683426
Morpholin-4-yl-[4-(2,4,6-trimethyl-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1091479
2-Morpholin-4-yl-1-[2-phenyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 646974
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-propan-1-one
CID 647061
1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N4-[2-({[4-(trifluoromethyl)phenyl]sulfonyl}amino)ethyl]morpholine-4-carboxamide
CID 2725780
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-ethanone
CID 3157921
Pyrrolidin-1-yl(4-tosylpiperazin-1-yl)methanone
CID 849899
N-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 2961332
1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}ethanone
CID 4125549
[5-Methyl-3-(phenylsulfonyl)imidazolidin-1-yl](morpholin-4-yl)methanone
CID 6498818

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498825) is [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N3CCOCC3)C2C)cc1.
What is the InChIKey of [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is LERQAYLUCXNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13-4-6-16(7-5-13)25(22,23)19-12-14(2)20(15(19)3)17(21)18-8-10-24-11-9-18/h4-7,14-15H,8-12H2,1-3H3.
What are the key properties of [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 367.47 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).