N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide

C24H25FN2O5S — CID 27774705

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c(OC)c1
InChIInChI=1S/C24H25FN2O5S/c1-16-13-21(11-12-22(16)25)33(29,30)26-19-8-5-17(6-9-19)24(28)27(2)15-18-7-10-20(31-3)14-23(18)32-4/h5-14,26H,15H2,1-4H3
InChIKeyDHQUFHYMESUING-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.22
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide

N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 27774705) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
PubChem CID27774705
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c(OC)c1
InChIInChI=1S/C24H25FN2O5S/c1-16-13-21(11-12-22(16)25)33(29,30)26-19-8-5-17(6-9-19)24(28)27(2)15-18-7-10-20(31-3)14-23(18)32-4/h5-14,26H,15H2,1-4H3
InChIKeyDHQUFHYMESUING-UHFFFAOYSA-N
XLogP4.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24544277
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 25335428
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-methyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 24980139
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26979981
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916876
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 38518080
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 4854406

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide (CID 27774705) is N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is DHQUFHYMESUING-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-16-13-21(11-12-22(16)25)33(29,30)26-19-8-5-17(6-9-19)24(28)27(2)15-18-7-10-20(31-3)14-23(18)32-4/h5-14,26H,15H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 472.54 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 27774705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).