N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

C21H18FN5O3S — CID 55729837

IUPACN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESN#Cc1cccnc1NCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H18FN5O3S/c22-18-5-1-2-6-19(18)27-31(29,30)17-9-7-15(8-10-17)21(28)26-13-12-25-20-16(14-23)4-3-11-24-20/h1-11,27H,12-13H2,(H,24,25)(H,26,28)
InChIKeyZABOMBISUBECOT-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.74
Rot. Bonds8

About N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 55729837) has the molecular formula C21H18FN5O3S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID55729837
Molecular FormulaC21H18FN5O3S
Molecular Weight439.47 g/mol
Exact Mass439.11
IUPAC NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESN#Cc1cccnc1NCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C21H18FN5O3S/c22-18-5-1-2-6-19(18)27-31(29,30)17-9-7-15(8-10-17)21(28)26-13-12-25-20-16(14-23)4-3-11-24-20/h1-11,27H,12-13H2,(H,24,25)(H,26,28)
InChIKeyZABOMBISUBECOT-UHFFFAOYSA-N
XLogP2.74
TPSA123.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 55729309
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55455849
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 46454558
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55839404
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-5-(methylsulfamoyl)benzamide
CID 55729345
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 47066721
4-[(2-fluorophenyl)sulfamoyl]-N-(3-phenylpropyl)benzamide
CID 27647283

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide (CID 55729837) is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is N#Cc1cccnc1NCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is ZABOMBISUBECOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3S/c22-18-5-1-2-6-19(18)27-31(29,30)17-9-7-15(8-10-17)21(28)26-13-12-25-20-16(14-23)4-3-11-24-20/h1-11,27H,12-13H2,(H,24,25)(H,26,28).
What are the key properties of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 439.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55729837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).