3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

C24H25FN2O4S — CID 46591499

IUPAC3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C24H25FN2O4S/c1-16-12-13-20(15-22(16)25)32(29,30)26-19-9-7-8-18(14-19)24(28)27(3)17(2)21-10-5-6-11-23(21)31-4/h5-15,17,26H,1-4H3
InChIKeyMNGLWLFFWHMNJV-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.78
Rot. Bonds7

About 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 46591499) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID46591499
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C24H25FN2O4S/c1-16-12-13-20(15-22(16)25)32(29,30)26-19-9-7-8-18(14-19)24(28)27(3)17(2)21-10-5-6-11-23(21)31-4/h5-15,17,26H,1-4H3
InChIKeyMNGLWLFFWHMNJV-UHFFFAOYSA-N
XLogP4.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55594079
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39687761
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46588331
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 78784405
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 25335599
N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 86925802
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579375
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 134050501
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
methyl (2S)-2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-3-hydroxypropanoate
CID 9275578
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 55580213
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (CID 46591499) is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is MNGLWLFFWHMNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-16-12-13-20(15-22(16)25)32(29,30)26-19-9-7-8-18(14-19)24(28)27(3)17(2)21-10-5-6-11-23(21)31-4/h5-15,17,26H,1-4H3.
What are the key properties of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 456.54 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 46591499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).