N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide

C22H21N3O7S — CID 20969932

IUPACN'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2O)cc1
InChIInChI=1S/C22H21N3O7S/c1-31-16-7-3-14(4-8-16)23-21(27)22(28)24-19-12-11-18(13-20(19)26)33(29,30)25-15-5-9-17(32-2)10-6-15/h3-13,25-26H,1-2H3,(H,23,27)(H,24,28)
InChIKeyFFKSSNASMANPSY-UHFFFAOYSA-N
MW471.49 g/mol
LogP2.79
Rot. Bonds7

About N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide

N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide (PubChem CID 20969932) has the molecular formula C22H21N3O7S and a molecular weight of 471.49 g/mol. Its IUPAC name is N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide
PubChem CID20969932
Molecular FormulaC22H21N3O7S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC NameN'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2O)cc1
InChIInChI=1S/C22H21N3O7S/c1-31-16-7-3-14(4-8-16)23-21(27)22(28)24-19-12-11-18(13-20(19)26)33(29,30)25-15-5-9-17(32-2)10-6-15/h3-13,25-26H,1-2H3,(H,23,27)(H,24,28)
InChIKeyFFKSSNASMANPSY-UHFFFAOYSA-N
XLogP2.79
TPSA143.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 25335054
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
1-(4-chlorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047087
1-(4-fluorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047618
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide (CID 20969932) is N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2O)cc1.
What is the InChIKey of N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide?
The InChIKey is FFKSSNASMANPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O7S/c1-31-16-7-3-14(4-8-16)23-21(27)22(28)24-19-12-11-18(13-20(19)26)33(29,30)25-15-5-9-17(32-2)10-6-15/h3-13,25-26H,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide?
N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide has a molecular weight of 471.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 20969932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).