1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea

C19H29N3O4S — CID 110352569

IUPAC1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea
SMILESCC1(C)COCCN1S(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-19(2)14-26-13-12-22(19)27(24,25)17-10-8-16(9-11-17)21-18(23)20-15-6-4-3-5-7-15/h8-11,15H,3-7,12-14H2,1-2H3,(H2,20,21,23)
InChIKeyJOHBQYAAVNUOAW-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.94
Rot. Bonds4

About 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea

1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea (PubChem CID 110352569) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea
PubChem CID110352569
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea
SMILESCC1(C)COCCN1S(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O4S/c1-19(2)14-26-13-12-22(19)27(24,25)17-10-8-16(9-11-17)21-18(23)20-15-6-4-3-5-7-15/h8-11,15H,3-7,12-14H2,1-2H3,(H2,20,21,23)
InChIKeyJOHBQYAAVNUOAW-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea (CID 110352569) is 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea is CC1(C)COCCN1S(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea?
The InChIKey is JOHBQYAAVNUOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-19(2)14-26-13-12-22(19)27(24,25)17-10-8-16(9-11-17)21-18(23)20-15-6-4-3-5-7-15/h8-11,15H,3-7,12-14H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea?
1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea has a molecular weight of 395.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea is sourced from PubChem (CID 110352569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).