N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide

C19H21F2N3O5S — CID 55502416

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCNC(=O)C(NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O5S/c1-22-19(26)17(13-5-8-15(20)16(21)11-13)24-18(25)12-3-6-14(7-4-12)30(27,28)23-9-10-29-2/h3-8,11,17,23H,9-10H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyCORZYXVDFPLASI-UHFFFAOYSA-N
MW441.46 g/mol
LogP1.11
Rot. Bonds9

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55502416) has the molecular formula C19H21F2N3O5S and a molecular weight of 441.46 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55502416
Molecular FormulaC19H21F2N3O5S
Molecular Weight441.46 g/mol
Exact Mass441.12
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCNC(=O)C(NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O5S/c1-22-19(26)17(13-5-8-15(20)16(21)11-13)24-18(25)12-3-6-14(7-4-12)30(27,28)23-9-10-29-2/h3-8,11,17,23H,9-10H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyCORZYXVDFPLASI-UHFFFAOYSA-N
XLogP1.11
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 51.11
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

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55595735
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 134051659
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55629313
4-(2-cyanoethylsulfamoyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 78804741
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 55502073
3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide
CID 55483705
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 56537065
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 55502416) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide is CNC(=O)C(NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is CORZYXVDFPLASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O5S/c1-22-19(26)17(13-5-8-15(20)16(21)11-13)24-18(25)12-3-6-14(7-4-12)30(27,28)23-9-10-29-2/h3-8,11,17,23H,9-10H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 441.46 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55502416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).