2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C25H26BrN3O7S2 — CID 43892357

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H26BrN3O7S2/c1-35-23-12-9-20(17-24(23)38(33,34)28-13-15-36-16-14-28)27-25(30)18-29(21-10-7-19(26)8-11-21)37(31,32)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,27,30)
InChIKeyQJHHVIJPIKKHNM-UHFFFAOYSA-N
MW624.54 g/mol
LogP3.31
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 43892357) has the molecular formula C25H26BrN3O7S2 and a molecular weight of 624.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID43892357
Molecular FormulaC25H26BrN3O7S2
Molecular Weight624.54 g/mol
Exact Mass623.04
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H26BrN3O7S2/c1-35-23-12-9-20(17-24(23)38(33,34)28-13-15-36-16-14-28)27-25(30)18-29(21-10-7-19(26)8-11-21)37(31,32)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,27,30)
InChIKeyQJHHVIJPIKKHNM-UHFFFAOYSA-N
XLogP3.31
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43897789
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894503
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51343376
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43893348
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892815
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43893915
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4164776
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896162
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894944
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30220381
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892818

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 43892357) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is QJHHVIJPIKKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O7S2/c1-35-23-12-9-20(17-24(23)38(33,34)28-13-15-36-16-14-28)27-25(30)18-29(21-10-7-19(26)8-11-21)37(31,32)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 624.54 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43892357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).