1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea

C19H28N4O6S — CID 47051060

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
SMILESCC1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC(C)O1
InChIInChI=1S/C19H28N4O6S/c1-14-11-23(12-15(2)29-14)30(26,27)10-7-20-18(24)21-17-5-3-16(4-6-17)13-22-8-9-28-19(22)25/h3-6,14-15H,7-13H2,1-2H3,(H2,20,21,24)
InChIKeyYYVHDBLDQOBFOI-UHFFFAOYSA-N
MW440.52 g/mol
LogP1.20
Rot. Bonds7

About 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea

1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea (PubChem CID 47051060) has the molecular formula C19H28N4O6S and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
PubChem CID47051060
Molecular FormulaC19H28N4O6S
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
SMILESCC1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC(C)O1
InChIInChI=1S/C19H28N4O6S/c1-14-11-23(12-15(2)29-14)30(26,27)10-7-20-18(24)21-17-5-3-16(4-6-17)13-22-8-9-28-19(22)25/h3-6,14-15H,7-13H2,1-2H3,(H2,20,21,24)
InChIKeyYYVHDBLDQOBFOI-UHFFFAOYSA-N
XLogP1.20
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 47041605
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
CID 55695493
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[3-[(3-fluorophenyl)methoxy]phenyl]urea
CID 55834035
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 52517058
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52531734
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
1-(2,4-dichlorophenyl)-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
CID 78895981
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
CID 51334002
1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea
CID 86830752

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea (CID 47051060) is 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea is CC1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?
The InChIKey is YYVHDBLDQOBFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O6S/c1-14-11-23(12-15(2)29-14)30(26,27)10-7-20-18(24)21-17-5-3-16(4-6-17)13-22-8-9-28-19(22)25/h3-6,14-15H,7-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea has a molecular weight of 440.52 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea is sourced from PubChem (CID 47051060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).