2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide

C25H28N2O6S — CID 43052028

IUPAC2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O
InChIInChI=1S/C25H28N2O6S/c1-4-17(2)19-9-5-7-11-23(19)33-16-25(29)26-21-15-18(13-14-22(21)28)34(30,31)27-20-10-6-8-12-24(20)32-3/h5-15,17,27-28H,4,16H2,1-3H3,(H,26,29)
InChIKeyLCLDAESOWKZJGG-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.73
Rot. Bonds10

About 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide

2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43052028) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43052028
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O
InChIInChI=1S/C25H28N2O6S/c1-4-17(2)19-9-5-7-11-23(19)33-16-25(29)26-21-15-18(13-14-22(21)28)34(30,31)27-20-10-6-8-12-24(20)32-3/h5-15,17,27-28H,4,16H2,1-3H3,(H,26,29)
InChIKeyLCLDAESOWKZJGG-UHFFFAOYSA-N
XLogP4.73
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 5415947
4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 24564644
3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24588283
2-(2-butan-2-ylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 2953225
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55377881
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46510189
2-(4-chloro-2-methylphenoxy)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
CID 3502178
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 55985794
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55629222
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoate
CID 6949018

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 43052028) is 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide is CCC(C)c1ccccc1OCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is LCLDAESOWKZJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-4-17(2)19-9-5-7-11-23(19)33-16-25(29)26-21-15-18(13-14-22(21)28)34(30,31)27-20-10-6-8-12-24(20)32-3/h5-15,17,27-28H,4,16H2,1-3H3,(H,26,29).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 484.57 g/mol, XLogP of 4.73, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43052028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).