N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

C26H29N3O8S2 — CID 43896162

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H29N3O8S2/c1-35-24-13-8-20(18-25(24)39(33,34)28-14-16-36-17-15-28)27-26(30)19-29(38(2,31)32)21-9-11-23(12-10-21)37-22-6-4-3-5-7-22/h3-13,18H,14-17,19H2,1-2H3,(H,27,30)
InChIKeyHNBIWKRUMHSODP-UHFFFAOYSA-N
MW575.67 g/mol
LogP2.91
Rot. Bonds10

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 43896162) has the molecular formula C26H29N3O8S2 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID43896162
Molecular FormulaC26H29N3O8S2
Molecular Weight575.67 g/mol
Exact Mass575.14
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H29N3O8S2/c1-35-24-13-8-20(18-25(24)39(33,34)28-14-16-36-17-15-28)27-26(30)19-29(38(2,31)32)21-9-11-23(12-10-21)37-22-6-4-3-5-7-22/h3-13,18H,14-17,19H2,1-2H3,(H,27,30)
InChIKeyHNBIWKRUMHSODP-UHFFFAOYSA-N
XLogP2.91
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.67
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30220381
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43900980
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896028
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43895655
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892357
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43897789
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894503
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43893348
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43893915
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894944

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 43896162) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is COc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is HNBIWKRUMHSODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O8S2/c1-35-24-13-8-20(18-25(24)39(33,34)28-14-16-36-17-15-28)27-26(30)19-29(38(2,31)32)21-9-11-23(12-10-21)37-22-6-4-3-5-7-22/h3-13,18H,14-17,19H2,1-2H3,(H,27,30).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 575.67 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 43896162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).