2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide

C23H25N3O6S — CID 16545227

IUPAC2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H25N3O6S/c1-17(27)25-19-9-11-21(12-10-19)33(29,30)26(15-20-7-5-13-32-20)16-23(28)24-14-18-6-3-4-8-22(18)31-2/h3-13H,14-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYYLYCCAYFIBUHA-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.75
Rot. Bonds10

About 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 16545227) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID16545227
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H25N3O6S/c1-17(27)25-19-9-11-21(12-10-19)33(29,30)26(15-20-7-5-13-32-20)16-23(28)24-14-18-6-3-4-8-22(18)31-2/h3-13H,14-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYYLYCCAYFIBUHA-UHFFFAOYSA-N
XLogP2.75
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372043
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 45372487
3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 110410097
2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 16545241
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126321404
N-[(2-chlorophenyl)methyl]-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 24653295
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126325495
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 16545227) is 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is YYLYCCAYFIBUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-17(27)25-19-9-11-21(12-10-19)33(29,30)26(15-20-7-5-13-32-20)16-23(28)24-14-18-6-3-4-8-22(18)31-2/h3-13H,14-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 471.54 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16545227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).