1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea

C16H23F2N3O4S — CID 47032731

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCC(C)(CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H23F2N3O4S/c1-16(2,21-7-9-25-10-8-21)11-19-15(22)20-12-3-5-13(6-4-12)26(23,24)14(17)18/h3-6,14H,7-11H2,1-2H3,(H2,19,20,22)
InChIKeyDFTVDWQWPQETRV-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.92
Rot. Bonds6

About 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea

1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea (PubChem CID 47032731) has the molecular formula C16H23F2N3O4S and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
PubChem CID47032731
Molecular FormulaC16H23F2N3O4S
Molecular Weight391.44 g/mol
Exact Mass391.14
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCC(C)(CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H23F2N3O4S/c1-16(2,21-7-9-25-10-8-21)11-19-15(22)20-12-3-5-13(6-4-12)26(23,24)14(17)18/h3-6,14H,7-11H2,1-2H3,(H2,19,20,22)
InChIKeyDFTVDWQWPQETRV-UHFFFAOYSA-N
XLogP1.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(3-Morpholinopropylsulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 46889204
1-(3-(3-Morpholinopropylsulfonyl)phenyl)-3-phenylurea
CID 24809976
N-(2-morpholinoethyl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894561
N-(4-{[4-(4-morpholinylcarbonyl)-1-piperazinyl]sulfonyl}phenyl)acetamide
CID 1298827
1-(4-(3-Morpholinopropylsulfonyl)phenyl)-3-phenylurea
CID 46889165
N-[4-(dimethylsulfamoyl)phenyl]morpholine-4-carboxamide
CID 1485492
[4-(4-Methylsulfonylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 76328252
2,6-dimethyl-N-[4-(methylthio)phenyl]morpholine-4-carboxamide
CID 3239041
1-(4-Fluorophenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960507
4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 47046016
N-(4-ethylsulfonylphenyl)morpholine-4-carboxamide
CID 47201620
2-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 53542676

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea (CID 47032731) is 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea is CC(C)(CNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The InChIKey is DFTVDWQWPQETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O4S/c1-16(2,21-7-9-25-10-8-21)11-19-15(22)20-12-3-5-13(6-4-12)26(23,24)14(17)18/h3-6,14H,7-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea has a molecular weight of 391.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 47032731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).