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

C16H23N3O4S — CID 6498819

IUPAC[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-11-14(2)19(12-18)16(20)17-7-9-23-10-8-17/h3-6,14H,7-12H2,1-2H3
InChIKeyOSTHMTCPLOEZDP-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.10
Rot. Bonds2

About [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498819) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498819
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name[5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-11-14(2)19(12-18)16(20)17-7-9-23-10-8-17/h3-6,14H,7-12H2,1-2H3
InChIKeyOSTHMTCPLOEZDP-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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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 [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498819) is [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is OSTHMTCPLOEZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-11-14(2)19(12-18)16(20)17-7-9-23-10-8-17/h3-6,14H,7-12H2,1-2H3.
What are the key properties of [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[5-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 [5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).