N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide

C28H22N6O5S — CID 155561483

IUPACN-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4)no3)c2)cc1
InChIInChI=1S/C28H22N6O5S/c1-18(35)30-22-11-13-25(14-12-22)40(37,38)34-24-6-2-4-20(16-24)28-32-26(33-39-28)19-7-9-23(10-8-19)31-27(36)21-5-3-15-29-17-21/h2-17,34H,1H3,(H,30,35)(H,31,36)
InChIKeyGAQVRZNICPISMK-UHFFFAOYSA-N
MW554.59 g/mol
LogP4.81
Rot. Bonds8

About N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide

N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 155561483) has the molecular formula C28H22N6O5S and a molecular weight of 554.59 g/mol. Its IUPAC name is N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID155561483
Molecular FormulaC28H22N6O5S
Molecular Weight554.59 g/mol
Exact Mass554.14
IUPAC NameN-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4)no3)c2)cc1
InChIInChI=1S/C28H22N6O5S/c1-18(35)30-22-11-13-25(14-12-22)40(37,38)34-24-6-2-4-20(16-24)28-32-26(33-39-28)19-7-9-23(10-8-19)31-27(36)21-5-3-15-29-17-21/h2-17,34H,1H3,(H,30,35)(H,31,36)
InChIKeyGAQVRZNICPISMK-UHFFFAOYSA-N
XLogP4.81
TPSA156.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.59
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 4972613
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201
N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 17052798
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 50822969
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585
5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 46345779

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide (CID 155561483) is N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(NC(=O)c5cccnc5)cc4)no3)c2)cc1.
What is the InChIKey of N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is GAQVRZNICPISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O5S/c1-18(35)30-22-11-13-25(14-12-22)40(37,38)34-24-6-2-4-20(16-24)28-32-26(33-39-28)19-7-9-23(10-8-19)31-27(36)21-5-3-15-29-17-21/h2-17,34H,1H3,(H,30,35)(H,31,36).
What are the key properties of N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 554.59 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155561483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).