2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide

C23H23FN2O5S — CID 126058112

IUPAC2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H23FN2O5S/c1-30-21-13-12-19(14-22(21)31-2)25-23(27)16-26(15-17-8-10-18(24)11-9-17)32(28,29)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyBICHYMQEAKNAIR-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.67
Rot. Bonds9

About 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide

2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 126058112) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID126058112
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC Name2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H23FN2O5S/c1-30-21-13-12-19(14-22(21)31-2)25-23(27)16-26(15-17-8-10-18(24)11-9-17)32(28,29)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyBICHYMQEAKNAIR-UHFFFAOYSA-N
XLogP3.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 3292626
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126062078
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126065599
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 29357217
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 45374154
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 126010033
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 4255094
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 126017078

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide (CID 126058112) is 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BICHYMQEAKNAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-30-21-13-12-19(14-22(21)31-2)25-23(27)16-26(15-17-8-10-18(24)11-9-17)32(28,29)20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 458.51 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 126058112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).