N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide

C18H21FN2O5S — CID 24656762

IUPACN-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1OCC
InChIInChI=1S/C18H21FN2O5S/c1-4-25-17-9-7-14(11-18(17)26-5-2)27(23,24)21-13-6-8-15(19)16(10-13)20-12(3)22/h6-11,21H,4-5H2,1-3H3,(H,20,22)
InChIKeyFAIVZWNQDJBNHG-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.38
Rot. Bonds8

About N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide

N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide (PubChem CID 24656762) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
PubChem CID24656762
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1OCC
InChIInChI=1S/C18H21FN2O5S/c1-4-25-17-9-7-14(11-18(17)26-5-2)27(23,24)21-13-6-8-15(19)16(10-13)20-12(3)22/h6-11,21H,4-5H2,1-3H3,(H,20,22)
InChIKeyFAIVZWNQDJBNHG-UHFFFAOYSA-N
XLogP3.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656740
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24604753
N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512808
N-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8501064
N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-2-fluorophenyl]acetamide
CID 46535085
4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
CID 110758104
S-[4-[(3,4-diethoxyphenyl)sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56508235

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide (CID 24656762) is N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide is CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1OCC.
What is the InChIKey of N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The InChIKey is FAIVZWNQDJBNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-4-25-17-9-7-14(11-18(17)26-5-2)27(23,24)21-13-6-8-15(19)16(10-13)20-12(3)22/h6-11,21H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide has a molecular weight of 396.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 24656762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).