N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C19H22F2N2O5S — CID 55652582

IUPACN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H22F2N2O5S/c1-12-3-5-14(29(26,27)23-7-8-28-2)10-15(12)19(25)22-11-18(24)13-4-6-16(20)17(21)9-13/h3-6,9-10,18,23-24H,7-8,11H2,1-2H3,(H,22,25)
InChIKeyQMKGHWFBDVNYIA-UHFFFAOYSA-N
MW428.46 g/mol
LogP1.66
Rot. Bonds9

About N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 55652582) has the molecular formula C19H22F2N2O5S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID55652582
Molecular FormulaC19H22F2N2O5S
Molecular Weight428.46 g/mol
Exact Mass428.12
IUPAC NameN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H22F2N2O5S/c1-12-3-5-14(29(26,27)23-7-8-28-2)10-15(12)19(25)22-11-18(24)13-4-6-16(20)17(21)9-13/h3-6,9-10,18,23-24H,7-8,11H2,1-2H3,(H,22,25)
InChIKeyQMKGHWFBDVNYIA-UHFFFAOYSA-N
XLogP1.66
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 55527805
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43003466
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 55652815
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55502416
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 60615489
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 90613483

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 55652582) is N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is QMKGHWFBDVNYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O5S/c1-12-3-5-14(29(26,27)23-7-8-28-2)10-15(12)19(25)22-11-18(24)13-4-6-16(20)17(21)9-13/h3-6,9-10,18,23-24H,7-8,11H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 428.46 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 55652582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).