N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide

C24H22N6O4S — CID 21060751

IUPACN-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(-c4noc(-c5ccc(N)cn5)n4)cc3)c2)CC1
InChIInChI=1S/C24H22N6O4S/c1-24(11-12-24)23(31)27-17-3-2-4-18(13-17)30-35(32,33)19-8-5-15(6-9-19)21-28-22(34-29-21)20-10-7-16(25)14-26-20/h2-10,13-14,30H,11-12,25H2,1H3,(H,27,31)
InChIKeyZSIJUXIZMZSGBF-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.92
Rot. Bonds7

About N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide

N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 21060751) has the molecular formula C24H22N6O4S and a molecular weight of 490.55 g/mol. Its IUPAC name is N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID21060751
Molecular FormulaC24H22N6O4S
Molecular Weight490.55 g/mol
Exact Mass490.14
IUPAC NameN-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(-c4noc(-c5ccc(N)cn5)n4)cc3)c2)CC1
InChIInChI=1S/C24H22N6O4S/c1-24(11-12-24)23(31)27-17-3-2-4-18(13-17)30-35(32,33)19-8-5-15(6-9-19)21-28-22(34-29-21)20-10-7-16(25)14-26-20/h2-10,13-14,30H,11-12,25H2,1H3,(H,27,31)
InChIKeyZSIJUXIZMZSGBF-UHFFFAOYSA-N
XLogP3.92
TPSA153.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfanylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 142181068
N-[3-[[4-[5-(1-amino-4-methylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061380
N-[3-[[4-[5-(1,5-diaminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061350
1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 58714481
[5-azaniumyl-1-[3-[4-[[3-[(1-methylcyclopropanecarbonyl)amino]phenyl]sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]pentyl]azanium
CID 21061349
3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060725
3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060727
N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 10293631
N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 58714490
N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155561483
N-[3-[[4-[5-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 58714475
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide (CID 21060751) is N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(-c4noc(-c5ccc(N)cn5)n4)cc3)c2)CC1.
What is the InChIKey of N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is ZSIJUXIZMZSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4S/c1-24(11-12-24)23(31)27-17-3-2-4-18(13-17)30-35(32,33)19-8-5-15(6-9-19)21-28-22(34-29-21)20-10-7-16(25)14-26-20/h2-10,13-14,30H,11-12,25H2,1H3,(H,27,31).
What are the key properties of N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 490.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 21060751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).