N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide

C20H22N4O4S — CID 9245668

IUPACN-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-24(4-2)29(27,28)18-10-8-16(9-11-18)20(26)22-14-19(25)23-17-7-5-6-15(12-17)13-21/h5-12H,3-4,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDFRCXVJQWVWITA-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.96
Rot. Bonds8

About N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide

N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 9245668) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
PubChem CID9245668
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-24(4-2)29(27,28)18-10-8-16(9-11-18)20(26)22-14-19(25)23-17-7-5-6-15(12-17)13-21/h5-12H,3-4,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDFRCXVJQWVWITA-UHFFFAOYSA-N
XLogP1.96
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770
4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
CID 36666715
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739
[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230
[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55303991
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001916
N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
CID 9245616
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
N-[3-[3-(diethylsulfamoyl)anilino]-3-oxopropyl]-4-nitrobenzamide
CID 4850051
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842
N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781224

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide (CID 9245668) is N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is DFRCXVJQWVWITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-3-24(4-2)29(27,28)18-10-8-16(9-11-18)20(26)22-14-19(25)23-17-7-5-6-15(12-17)13-21/h5-12H,3-4,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide?
N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 414.49 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 9245668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).