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

C21H27N3O5S — CID 47032415

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea
SMILESCC1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Oc2ccccc2)CC(C)O1
InChIInChI=1S/C21H27N3O5S/c1-16-14-24(15-17(2)28-16)30(26,27)13-12-22-21(25)23-19-10-6-7-11-20(19)29-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H2,22,23,25)
InChIKeyGKQYMQARCMZVHY-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.04
Rot. Bonds7

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

1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea (PubChem CID 47032415) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea
PubChem CID47032415
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea
SMILESCC1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Oc2ccccc2)CC(C)O1
InChIInChI=1S/C21H27N3O5S/c1-16-14-24(15-17(2)28-16)30(26,27)13-12-22-21(25)23-19-10-6-7-11-20(19)29-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H2,22,23,25)
InChIKeyGKQYMQARCMZVHY-UHFFFAOYSA-N
XLogP3.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 52517058
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52531734
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-[3-[(3-fluorophenyl)methoxy]phenyl]urea
CID 55834035
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51941786
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]urea
CID 55695493
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline
CID 55680667
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea (CID 47032415) is 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea is CC1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Oc2ccccc2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea?
The InChIKey is GKQYMQARCMZVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-16-14-24(15-17(2)28-16)30(26,27)13-12-22-21(25)23-19-10-6-7-11-20(19)29-18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea?
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea has a molecular weight of 433.53 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 47032415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).