N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

C23H30FN3O4S2 — CID 55338825

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)SCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H30FN3O4S2/c1-5-27(6-2)33(30,31)21-13-7-18(8-14-21)16(3)25-23(29)17(4)32-15-22(28)26-20-11-9-19(24)10-12-20/h7-14,16-17H,5-6,15H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyJUPCGBNNNGDYLN-UHFFFAOYSA-N
MW495.64 g/mol
LogP3.79
Rot. Bonds11

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 55338825) has the molecular formula C23H30FN3O4S2 and a molecular weight of 495.64 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID55338825
Molecular FormulaC23H30FN3O4S2
Molecular Weight495.64 g/mol
Exact Mass495.17
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)SCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H30FN3O4S2/c1-5-27(6-2)33(30,31)21-13-7-18(8-14-21)16(3)25-23(29)17(4)32-15-22(28)26-20-11-9-19(24)10-12-20/h7-14,16-17H,5-6,15H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyJUPCGBNNNGDYLN-UHFFFAOYSA-N
XLogP3.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872531
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9415960
N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537047
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
(2R)-2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]-4-methylpentanoic acid
CID 119364211
(2S)-N-(4-bromophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730383
N-[1-(4-cyanophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55582894

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide (CID 55338825) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)SCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is JUPCGBNNNGDYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4S2/c1-5-27(6-2)33(30,31)21-13-7-18(8-14-21)16(3)25-23(29)17(4)32-15-22(28)26-20-11-9-19(24)10-12-20/h7-14,16-17H,5-6,15H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 495.64 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 55338825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).