N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide

C24H23N5O4S — CID 90563219

IUPACN-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)c(C)c1
InChIInChI=1S/C24H23N5O4S/c1-3-22(30)26-19-8-9-21(16(2)14-19)34(31,32)29-20-7-5-4-6-18(20)15-23-27-24(28-33-23)17-10-12-25-13-11-17/h4-14,29H,3,15H2,1-2H3,(H,26,30)
InChIKeyPWRZCXJCCMRXIW-UHFFFAOYSA-N
MW477.55 g/mol
LogP4.18
Rot. Bonds8

About N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide

N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide (PubChem CID 90563219) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide
PubChem CID90563219
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)c(C)c1
InChIInChI=1S/C24H23N5O4S/c1-3-22(30)26-19-8-9-21(16(2)14-19)34(31,32)29-20-7-5-4-6-18(20)15-23-27-24(28-33-23)17-10-12-25-13-11-17/h4-14,29H,3,15H2,1-2H3,(H,26,30)
InChIKeyPWRZCXJCCMRXIW-UHFFFAOYSA-N
XLogP4.18
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563136
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 90563140
1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563093
2-phenyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90562946
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563166
4-methyl-3-nitro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562912
4-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562701
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90563058
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide (CID 90563219) is N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide?
The InChIKey is PWRZCXJCCMRXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-3-22(30)26-19-8-9-21(16(2)14-19)34(31,32)29-20-7-5-4-6-18(20)15-23-27-24(28-33-23)17-10-12-25-13-11-17/h4-14,29H,3,15H2,1-2H3,(H,26,30).
What are the key properties of N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide?
N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide has a molecular weight of 477.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 90563219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).