N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide

C19H22N4O3S2 — CID 24589582

IUPACN-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCCC(=O)Nc2ccccc2C#N)nc1
InChIInChI=1S/C19H22N4O3S2/c1-3-23(4-2)28(25,26)16-9-10-19(21-14-16)27-12-11-18(24)22-17-8-6-5-7-15(17)13-20/h5-10,14H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyBQOAJTLIJYVFES-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.10
Rot. Bonds9

About N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide

N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 24589582) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID24589582
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCCC(=O)Nc2ccccc2C#N)nc1
InChIInChI=1S/C19H22N4O3S2/c1-3-23(4-2)28(25,26)16-9-10-19(21-14-16)27-12-11-18(24)22-17-8-6-5-7-15(17)13-20/h5-10,14H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyBQOAJTLIJYVFES-UHFFFAOYSA-N
XLogP3.10
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 30028187
N-(2-cyanophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63380899
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
6-[(4-cyanophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663664
N-(2-cyanophenyl)-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63659032
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-acetylphenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759654
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
CID 4779757
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
CID 40664198
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide (CID 24589582) is N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(SCCC(=O)Nc2ccccc2C#N)nc1.
What is the InChIKey of N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is BQOAJTLIJYVFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-3-23(4-2)28(25,26)16-9-10-19(21-14-16)27-12-11-18(24)22-17-8-6-5-7-15(17)13-20/h5-10,14H,3-4,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide?
N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 24589582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).