N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide

C21H25FN2O4S — CID 26759612

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCC(=O)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C21H25FN2O4S/c1-4-24(5-2)29(27,28)20-14-18(11-6-15(20)3)23-21(26)13-12-19(25)16-7-9-17(22)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)
InChIKeyWOCQYDXIZKARPP-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.77
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 26759612) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID26759612
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCC(=O)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C21H25FN2O4S/c1-4-24(5-2)29(27,28)20-14-18(11-6-15(20)3)23-21(26)13-12-19(25)16-7-9-17(22)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)
InChIKeyWOCQYDXIZKARPP-UHFFFAOYSA-N
XLogP3.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9415960
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178
N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 17475869
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 4840413
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711948

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 26759612) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CCC(=O)c2ccc(F)cc2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is WOCQYDXIZKARPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-4-24(5-2)29(27,28)20-14-18(11-6-15(20)3)23-21(26)13-12-19(25)16-7-9-17(22)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 420.51 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 26759612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).