N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide

C25H26F2N4O4S — CID 26136849

IUPACN-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCC(=O)NCCNC(=O)c1cc(NCc2ccc(F)cc2F)cc(S(=O)(=O)Nc2ccccc2C)c1
InChIInChI=1S/C25H26F2N4O4S/c1-16-5-3-4-6-24(16)31-36(34,35)22-12-19(25(33)29-10-9-28-17(2)32)11-21(14-22)30-15-18-7-8-20(26)13-23(18)27/h3-8,11-14,30-31H,9-10,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyQPCVVYSOZSRJDS-UHFFFAOYSA-N
MW516.57 g/mol
LogP3.55
Rot. Bonds10

About N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide

N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 26136849) has the molecular formula C25H26F2N4O4S and a molecular weight of 516.57 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID26136849
Molecular FormulaC25H26F2N4O4S
Molecular Weight516.57 g/mol
Exact Mass516.16
IUPAC NameN-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCC(=O)NCCNC(=O)c1cc(NCc2ccc(F)cc2F)cc(S(=O)(=O)Nc2ccccc2C)c1
InChIInChI=1S/C25H26F2N4O4S/c1-16-5-3-4-6-24(16)31-36(34,35)22-12-19(25(33)29-10-9-28-17(2)32)11-21(14-22)30-15-18-7-8-20(26)13-23(18)27/h3-8,11-14,30-31H,9-10,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyQPCVVYSOZSRJDS-UHFFFAOYSA-N
XLogP3.55
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
CID 43672810
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56586349
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493
4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
CID 109057942
N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618454
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
methyl 2-[[3-(2-hydroxyethylamino)-5-(phenylsulfamoyl)benzoyl]amino]acetate
CID 26225543

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide (CID 26136849) is N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide is CC(=O)NCCNC(=O)c1cc(NCc2ccc(F)cc2F)cc(S(=O)(=O)Nc2ccccc2C)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is QPCVVYSOZSRJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O4S/c1-16-5-3-4-6-24(16)31-36(34,35)22-12-19(25(33)29-10-9-28-17(2)32)11-21(14-22)30-15-18-7-8-20(26)13-23(18)27/h3-8,11-14,30-31H,9-10,15H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide?
N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 516.57 g/mol, XLogP of 3.55, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-[(2,4-difluorophenyl)methylamino]-5-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26136849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).