2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide

C24H25FN2O4S — CID 4255094

IUPAC2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25FN2O4S/c1-17-4-11-21(12-5-17)32(29,30)27(15-19-7-9-20(25)10-8-19)16-24(28)26-22-14-18(2)6-13-23(22)31-3/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyGHILHDGSQHVPBK-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.28
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 4255094) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID4255094
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25FN2O4S/c1-17-4-11-21(12-5-17)32(29,30)27(15-19-7-9-20(25)10-8-19)16-24(28)26-22-14-18(2)6-13-23(22)31-3/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyGHILHDGSQHVPBK-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233514
2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26055291
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126080987
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1338618
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 126068193
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126204295
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 29357217
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113152094
N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069025
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100793296
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 4255094) is 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is GHILHDGSQHVPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-17-4-11-21(12-5-17)32(29,30)27(15-19-7-9-20(25)10-8-19)16-24(28)26-22-14-18(2)6-13-23(22)31-3/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 456.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 4255094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).