N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C20H27N3O6S2 — CID 92680849

IUPACN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C20H27N3O6S2/c1-14(2)22-31(27,28)16-10-11-19(29-4)17(12-16)21-20(24)13-23(30(5,25)26)18-9-7-6-8-15(18)3/h6-12,14,22H,13H2,1-5H3,(H,21,24)
InChIKeyAAWMWQUMOATRCS-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.10
Rot. Bonds9

About N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 92680849) has the molecular formula C20H27N3O6S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID92680849
Molecular FormulaC20H27N3O6S2
Molecular Weight469.59 g/mol
Exact Mass469.13
IUPAC NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C20H27N3O6S2/c1-14(2)22-31(27,28)16-10-11-19(29-4)17(12-16)21-20(24)13-23(30(5,25)26)18-9-7-6-8-15(18)3/h6-12,14,22H,13H2,1-5H3,(H,21,24)
InChIKeyAAWMWQUMOATRCS-UHFFFAOYSA-N
XLogP2.10
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43900674
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-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902428
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 92671719
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902059
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43900672
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

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 92680849) is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is AAWMWQUMOATRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S2/c1-14(2)22-31(27,28)16-10-11-19(29-4)17(12-16)21-20(24)13-23(30(5,25)26)18-9-7-6-8-15(18)3/h6-12,14,22H,13H2,1-5H3,(H,21,24).
What are the key properties of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 469.59 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 92680849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).