2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide

C25H27N3O6S2 — CID 43875012

IUPAC2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H27N3O6S2/c29-25(26-18-20-8-12-24(13-9-20)36(32,33)28-16-4-5-17-28)19-34-22-10-14-23(15-11-22)35(30,31)27-21-6-2-1-3-7-21/h1-3,6-15,27H,4-5,16-19H2,(H,26,29)
InChIKeyKPTNYHUPHIICEX-UHFFFAOYSA-N
MW529.64 g/mol
LogP2.97
Rot. Bonds10

About 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide

2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43875012) has the molecular formula C25H27N3O6S2 and a molecular weight of 529.64 g/mol. Its IUPAC name is 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID43875012
Molecular FormulaC25H27N3O6S2
Molecular Weight529.64 g/mol
Exact Mass529.13
IUPAC Name2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H27N3O6S2/c29-25(26-18-20-8-12-24(13-9-20)36(32,33)28-16-4-5-17-28)19-34-22-10-14-23(15-11-22)35(30,31)27-21-6-2-1-3-7-21/h1-3,6-15,27H,4-5,16-19H2,(H,26,29)
InChIKeyKPTNYHUPHIICEX-UHFFFAOYSA-N
XLogP2.97
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875042
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875034
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875030
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875035
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 28562564
N-[(2-chlorophenyl)methyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 3873700
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736263
N-ethyl-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 2223893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide (CID 43875012) is 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide is O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is KPTNYHUPHIICEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S2/c29-25(26-18-20-8-12-24(13-9-20)36(32,33)28-16-4-5-17-28)19-34-22-10-14-23(15-11-22)35(30,31)27-21-6-2-1-3-7-21/h1-3,6-15,27H,4-5,16-19H2,(H,26,29).
What are the key properties of 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 529.64 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43875012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).