2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide

C21H21N3O6S2 — CID 3887090

IUPAC2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C21H21N3O6S2/c1-15-2-4-17(5-3-15)24-32(28,29)20-12-8-18(9-13-20)30-14-21(25)23-16-6-10-19(11-7-16)31(22,26)27/h2-13,24H,14H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyLTAQXLMFXLQCIJ-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.46
Rot. Bonds8

About 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide

2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 3887090) has the molecular formula C21H21N3O6S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID3887090
Molecular FormulaC21H21N3O6S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC Name2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C21H21N3O6S2/c1-15-2-4-17(5-3-15)24-32(28,29)20-12-8-18(9-13-20)30-14-21(25)23-16-6-10-19(11-7-16)31(22,26)27/h2-13,24H,14H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyLTAQXLMFXLQCIJ-UHFFFAOYSA-N
XLogP2.46
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
N-(4-methylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126212360
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 987756

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 3887090) is 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is LTAQXLMFXLQCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S2/c1-15-2-4-17(5-3-15)24-32(28,29)20-12-8-18(9-13-20)30-14-21(25)23-16-6-10-19(11-7-16)31(22,26)27/h2-13,24H,14H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 475.55 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 3887090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).