2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide

C23H23FN2O5S — CID 175751838

IUPAC2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2-c2cccc(CC(N)=O)c2F)c(OC)c1
InChIInChI=1S/C23H23FN2O5S/c1-30-17-11-10-16(20(13-17)31-2)14-26-32(28,29)21-9-4-3-7-18(21)19-8-5-6-15(23(19)24)12-22(25)27/h3-11,13,26H,12,14H2,1-2H3,(H2,25,27)
InChIKeyIJYUMJAHGABAAZ-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.02
Rot. Bonds9

About 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide

2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide (PubChem CID 175751838) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide
PubChem CID175751838
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC Name2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2-c2cccc(CC(N)=O)c2F)c(OC)c1
InChIInChI=1S/C23H23FN2O5S/c1-30-17-11-10-16(20(13-17)31-2)14-26-32(28,29)21-9-4-3-7-18(21)19-8-5-6-15(23(19)24)12-22(25)27/h3-11,13,26H,12,14H2,1-2H3,(H2,25,27)
InChIKeyIJYUMJAHGABAAZ-UHFFFAOYSA-N
XLogP3.02
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
(2,4-dimethoxyphenyl)methylurea
CID 53362457
3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-fluoropyrazol-1-yl)benzenesulfonamide
CID 175751617
5-(benzenesulfonyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 57430693
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992756
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylbenzenesulfonamide
CID 175751815
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide?
The IUPAC name of 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide (CID 175751838) is 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide is COc1ccc(CNS(=O)(=O)c2ccccc2-c2cccc(CC(N)=O)c2F)c(OC)c1.
What is the InChIKey of 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide?
The InChIKey is IJYUMJAHGABAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-30-17-11-10-16(20(13-17)31-2)14-26-32(28,29)21-9-4-3-7-18(21)19-8-5-6-15(23(19)24)12-22(25)27/h3-11,13,26H,12,14H2,1-2H3,(H2,25,27).
What are the key properties of 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide?
2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide has a molecular weight of 458.51 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 175751838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).