N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide

C16H12N4O3S — CID 138582531

IUPACN-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
SMILESN#Cc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H12N4O3S/c17-9-12-1-5-14(6-2-12)19-16(21)11-24(22,23)20-15-7-3-13(10-18)4-8-15/h1-8,20H,11H2,(H,19,21)
InChIKeyTXSBUPJAVJOYAE-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.81
Rot. Bonds5

About N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide

N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide (PubChem CID 138582531) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
PubChem CID138582531
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC NameN-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
SMILESN#Cc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H12N4O3S/c17-9-12-1-5-14(6-2-12)19-16(21)11-24(22,23)20-15-7-3-13(10-18)4-8-15/h1-8,20H,11H2,(H,19,21)
InChIKeyTXSBUPJAVJOYAE-UHFFFAOYSA-N
XLogP1.81
TPSA122.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
(4-cyanophenyl)sulfamic acid
CID 15847253
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
N-(4-cyanophenyl)pentanamide
CID 2162994
3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
CID 17310101
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]-2-hydroxyacetamide
CID 125463979
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
2-[(4-cyanophenyl)sulfamoylamino]acetic acid
CID 14363956

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide (CID 138582531) is N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide is N#Cc1ccc(NC(=O)CS(=O)(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide?
The InChIKey is TXSBUPJAVJOYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c17-9-12-1-5-14(6-2-12)19-16(21)11-24(22,23)20-15-7-3-13(10-18)4-8-15/h1-8,20H,11H2,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide?
N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide has a molecular weight of 340.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide is sourced from PubChem (CID 138582531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).