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

C19H21BrN2O4S2 — CID 16527869

IUPAC2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21BrN2O4S2/c1-14-2-5-16(12-18(14)28(24,25)22-8-10-26-11-9-22)21-19(23)13-27-17-6-3-15(20)4-7-17/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyUVKZWZDZZMVHQF-UHFFFAOYSA-N
MW485.43 g/mol
LogP3.51
Rot. Bonds6

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

2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16527869) has the molecular formula C19H21BrN2O4S2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16527869
Molecular FormulaC19H21BrN2O4S2
Molecular Weight485.43 g/mol
Exact Mass484.01
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21BrN2O4S2/c1-14-2-5-16(12-18(14)28(24,25)22-8-10-26-11-9-22)21-19(23)13-27-17-6-3-15(20)4-7-17/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyUVKZWZDZZMVHQF-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 16527869) is 2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is UVKZWZDZZMVHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S2/c1-14-2-5-16(12-18(14)28(24,25)22-8-10-26-11-9-22)21-19(23)13-27-17-6-3-15(20)4-7-17/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 485.43 g/mol, XLogP of 3.51, 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-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16527869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).