N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

C25H29N3O7S2 — CID 43900674

IUPACN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C25H29N3O7S2/c1-18(2)27-37(32,33)20-14-15-23(34-3)21(16-20)26-25(29)17-28(36(4,30)31)22-12-8-9-13-24(22)35-19-10-6-5-7-11-19/h5-16,18,27H,17H2,1-4H3,(H,26,29)
InChIKeyUCPQEANPRKEHMK-UHFFFAOYSA-N
MW547.66 g/mol
LogP3.58
Rot. Bonds11

About N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (PubChem CID 43900674) has the molecular formula C25H29N3O7S2 and a molecular weight of 547.66 g/mol. Its IUPAC name is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
PubChem CID43900674
Molecular FormulaC25H29N3O7S2
Molecular Weight547.66 g/mol
Exact Mass547.14
IUPAC NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C25H29N3O7S2/c1-18(2)27-37(32,33)20-14-15-23(34-3)21(16-20)26-25(29)17-28(36(4,30)31)22-12-8-9-13-24(22)35-19-10-6-5-7-11-19/h5-16,18,27H,17H2,1-4H3,(H,26,29)
InChIKeyUCPQEANPRKEHMK-UHFFFAOYSA-N
XLogP3.58
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92684341
2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 30400596
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 92680849
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92676515
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 92675116
2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 46763080
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43876537
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901959
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902428
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902059
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 92671719
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901876

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (CID 43900674) is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The canonical SMILES for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The InChIKey is UCPQEANPRKEHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O7S2/c1-18(2)27-37(32,33)20-14-15-23(34-3)21(16-20)26-25(29)17-28(36(4,30)31)22-12-8-9-13-24(22)35-19-10-6-5-7-11-19/h5-16,18,27H,17H2,1-4H3,(H,26,29).
What are the key properties of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide has a molecular weight of 547.66 g/mol, XLogP of 3.58, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is sourced from PubChem (CID 43900674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).