4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

C24H25FN2O4S — CID 26979981

IUPAC4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c1
InChIInChI=1S/C24H25FN2O4S/c1-17-5-4-6-21(15-17)31-14-13-27(3)24(28)19-7-9-20(10-8-19)26-32(29,30)22-11-12-23(25)18(2)16-22/h4-12,15-16,26H,13-14H2,1-3H3
InChIKeyJOLIMIYIYBFEKV-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.39
Rot. Bonds8

About 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 26979981) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID26979981
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c1
InChIInChI=1S/C24H25FN2O4S/c1-17-5-4-6-21(15-17)31-14-13-27(3)24(28)19-7-9-20(10-8-19)26-32(29,30)22-11-12-23(25)18(2)16-22/h4-12,15-16,26H,13-14H2,1-3H3
InChIKeyJOLIMIYIYBFEKV-UHFFFAOYSA-N
XLogP4.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide
CID 55440414
N-[2-(3,5-dimethylphenoxy)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24517392
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 24517235
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 27774705
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626
N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 38518080
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
CID 38579965

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 26979981) is 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c1.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is JOLIMIYIYBFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-17-5-4-6-21(15-17)31-14-13-27(3)24(28)19-7-9-20(10-8-19)26-32(29,30)22-11-12-23(25)18(2)16-22/h4-12,15-16,26H,13-14H2,1-3H3.
What are the key properties of 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 456.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 26979981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).