1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea

C17H20N4O4S — CID 66610246

IUPAC1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N4O4S/c22-17(19-13-14-2-1-7-18-12-14)20-15-3-5-16(6-4-15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H2,19,20,22)
InChIKeyZRABWMJBQMMYNT-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.42
Rot. Bonds5

About 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea

1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 66610246) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID66610246
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N4O4S/c22-17(19-13-14-2-1-7-18-12-14)20-15-3-5-16(6-4-15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H2,19,20,22)
InChIKeyZRABWMJBQMMYNT-UHFFFAOYSA-N
XLogP1.42
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea (CID 66610246) is 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is ZRABWMJBQMMYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c22-17(19-13-14-2-1-7-18-12-14)20-15-3-5-16(6-4-15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H2,19,20,22).
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 376.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66610246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).