2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C18H19BrN2O4S2 — CID 4693284

IUPAC2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19BrN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyQITLSYQTUQVPNV-UHFFFAOYSA-N
MW471.40 g/mol
LogP3.20
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4693284) has the molecular formula C18H19BrN2O4S2 and a molecular weight of 471.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4693284
Molecular FormulaC18H19BrN2O4S2
Molecular Weight471.40 g/mol
Exact Mass470.00
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19BrN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyQITLSYQTUQVPNV-UHFFFAOYSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4693284) is 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is QITLSYQTUQVPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S2/c19-14-4-6-16(7-5-14)26-13-18(22)20-15-2-1-3-17(12-15)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 471.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4693284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).