2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C18H19BrN2O4S — CID 1321520

IUPAC2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H19BrN2O4S/c19-15-3-1-14(2-4-15)13-18(22)20-16-5-7-17(8-6-16)26(23,24)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyFKXYAYSRRDYOQQ-UHFFFAOYSA-N
MW439.33 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 1321520) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID1321520
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H19BrN2O4S/c19-15-3-1-14(2-4-15)13-18(22)20-16-5-7-17(8-6-16)26(23,24)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyFKXYAYSRRDYOQQ-UHFFFAOYSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 1321520) is 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is FKXYAYSRRDYOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c19-15-3-1-14(2-4-15)13-18(22)20-16-5-7-17(8-6-16)26(23,24)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 439.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1321520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).