N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide

C20H20N4O3S — CID 113028945

IUPACN-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc(NC(=O)c3ccccc3)nc2)cc1
InChIInChI=1S/C20H20N4O3S/c21-28(26,27)18-9-6-15(7-10-18)12-13-22-17-8-11-19(23-14-17)24-20(25)16-4-2-1-3-5-16/h1-11,14,22H,12-13H2,(H2,21,26,27)(H,23,24,25)
InChIKeyKMDGVTRITCJWSU-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.64
Rot. Bonds7

About N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide

N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide (PubChem CID 113028945) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide
PubChem CID113028945
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc(NC(=O)c3ccccc3)nc2)cc1
InChIInChI=1S/C20H20N4O3S/c21-28(26,27)18-9-6-15(7-10-18)12-13-22-17-8-11-19(23-14-17)24-20(25)16-4-2-1-3-5-16/h1-11,14,22H,12-13H2,(H2,21,26,27)(H,23,24,25)
InChIKeyKMDGVTRITCJWSU-UHFFFAOYSA-N
XLogP2.64
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109193610
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
4-[2-[[6-(propylsulfonylamino)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 113028955
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[6-(2-phenylethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 113013043
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
4-[2-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 79834241
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113028255

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide?
The IUPAC name of N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide (CID 113028945) is N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide is NS(=O)(=O)c1ccc(CCNc2ccc(NC(=O)c3ccccc3)nc2)cc1.
What is the InChIKey of N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide?
The InChIKey is KMDGVTRITCJWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c21-28(26,27)18-9-6-15(7-10-18)12-13-22-17-8-11-19(23-14-17)24-20(25)16-4-2-1-3-5-16/h1-11,14,22H,12-13H2,(H2,21,26,27)(H,23,24,25).
What are the key properties of N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide?
N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113028945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).