3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

C20H24BrN3O6S2 — CID 24982405

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24BrN3O6S2/c1-15-2-5-17(14-19(15)32(28,29)24-10-12-30-13-11-24)23-20(25)8-9-22-31(26,27)18-6-3-16(21)4-7-18/h2-7,14,22H,8-13H2,1H3,(H,23,25)
InChIKeyWXOKVBSQOMGNDJ-UHFFFAOYSA-N
MW546.47 g/mol
LogP2.09
Rot. Bonds8

About 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 24982405) has the molecular formula C20H24BrN3O6S2 and a molecular weight of 546.47 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID24982405
Molecular FormulaC20H24BrN3O6S2
Molecular Weight546.47 g/mol
Exact Mass545.03
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24BrN3O6S2/c1-15-2-5-17(14-19(15)32(28,29)24-10-12-30-13-11-24)23-20(25)8-9-22-31(26,27)18-6-3-16(21)4-7-18/h2-7,14,22H,8-13H2,1H3,(H,23,25)
InChIKeyWXOKVBSQOMGNDJ-UHFFFAOYSA-N
XLogP2.09
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (CID 24982405) is 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is WXOKVBSQOMGNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O6S2/c1-15-2-5-17(14-19(15)32(28,29)24-10-12-30-13-11-24)23-20(25)8-9-22-31(26,27)18-6-3-16(21)4-7-18/h2-7,14,22H,8-13H2,1H3,(H,23,25).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 546.47 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24982405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).