1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea

C17H27N3O4S — CID 55696542

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H27N3O4S/c1-12-7-13(2)9-16(8-12)19-17(21)18-5-6-25(22,23)20-10-14(3)24-15(4)11-20/h7-9,14-15H,5-6,10-11H2,1-4H3,(H2,18,19,21)
InChIKeyYXGCFSAHVPVRCZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.86
Rot. Bonds5

About 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea

1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea (PubChem CID 55696542) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
PubChem CID55696542
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H27N3O4S/c1-12-7-13(2)9-16(8-12)19-17(21)18-5-6-25(22,23)20-10-14(3)24-15(4)11-20/h7-9,14-15H,5-6,10-11H2,1-4H3,(H2,18,19,21)
InChIKeyYXGCFSAHVPVRCZ-UHFFFAOYSA-N
XLogP1.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 47041605
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 52517058
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 56518953
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52531734
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
CID 47051060
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[3-[(3-fluorophenyl)methoxy]phenyl]urea
CID 55834035
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
CID 51334002
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea
CID 47032415
(Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide
CID 94799434
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
CID 55695493

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea (CID 55696542) is 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea?
The InChIKey is YXGCFSAHVPVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12-7-13(2)9-16(8-12)19-17(21)18-5-6-25(22,23)20-10-14(3)24-15(4)11-20/h7-9,14-15H,5-6,10-11H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea?
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea has a molecular weight of 369.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 55696542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).