2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

C18H19BrN2O2S — CID 2996527

IUPAC2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19BrN2O2S/c19-14-1-7-17(8-2-14)24-13-18(22)20-15-3-5-16(6-4-15)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyRAVRLPGFSZFRHH-UHFFFAOYSA-N
MW407.33 g/mol
LogP4.02
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2996527) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2996527
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19BrN2O2S/c19-14-1-7-17(8-2-14)24-13-18(22)20-15-3-5-16(6-4-15)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyRAVRLPGFSZFRHH-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 2996527) is 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is RAVRLPGFSZFRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c19-14-1-7-17(8-2-14)24-13-18(22)20-15-3-5-16(6-4-15)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 407.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2996527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).