N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide

C20H24N2O6S — CID 55629222

IUPACN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CCC2CCCO2)c1
InChIInChI=1S/C20H24N2O6S/c1-27-19-7-3-2-6-16(19)22-29(25,26)15-9-10-18(23)17(13-15)21-20(24)11-8-14-5-4-12-28-14/h2-3,6-7,9-10,13-14,22-23H,4-5,8,11-12H2,1H3,(H,21,24)
InChIKeyNWBCZBYWBCAVIF-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.10
Rot. Bonds8

About N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide

N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 55629222) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID55629222
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CCC2CCCO2)c1
InChIInChI=1S/C20H24N2O6S/c1-27-19-7-3-2-6-16(19)22-29(25,26)15-9-10-18(23)17(13-15)21-20(24)11-8-14-5-4-12-28-14/h2-3,6-7,9-10,13-14,22-23H,4-5,8,11-12H2,1H3,(H,21,24)
InChIKeyNWBCZBYWBCAVIF-UHFFFAOYSA-N
XLogP3.10
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.10
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

4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 24564644
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
4-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 107264659
3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 73253290
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43052028
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
3-methyl-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157203
2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 55985794

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide (CID 55629222) is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CCC2CCCO2)c1.
What is the InChIKey of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is NWBCZBYWBCAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-27-19-7-3-2-6-16(19)22-29(25,26)15-9-10-18(23)17(13-15)21-20(24)11-8-14-5-4-12-28-14/h2-3,6-7,9-10,13-14,22-23H,4-5,8,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide?
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 420.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 55629222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).