N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide

C22H24N4O4S — CID 53082506

IUPACN-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccnc4)no3)c(C)c2c1
InChIInChI=1S/C22H24N4O4S/c1-4-6-12-26(5-2)31(27,28)17-9-10-19-18(13-17)15(3)20(29-19)22-24-21(25-30-22)16-8-7-11-23-14-16/h7-11,13-14H,4-6,12H2,1-3H3
InChIKeyFWNYMCCMJPJDGL-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.66
Rot. Bonds8

About N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide

N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide (PubChem CID 53082506) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide
PubChem CID53082506
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccnc4)no3)c(C)c2c1
InChIInChI=1S/C22H24N4O4S/c1-4-6-12-26(5-2)31(27,28)17-9-10-19-18(13-17)15(3)20(29-19)22-24-21(25-30-22)16-8-7-11-23-14-16/h7-11,13-14H,4-6,12H2,1-3H3
InChIKeyFWNYMCCMJPJDGL-UHFFFAOYSA-N
XLogP4.66
TPSA102.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-3-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-5-sulfonamide
CID 53082397
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55568413
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 55487977
3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide
CID 53082477
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 55497181
4-[[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl]sulfonyl]morpholine
CID 53082444
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-(4-methylphenyl)-1-benzofuran-5-sulfonamide
CID 53082492
3-(3-chlorophenyl)-5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-1,2,4-oxadiazole
CID 53082467
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide
CID 53082434
3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 45242404
5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53082466
5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 35216489

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide?
The IUPAC name of N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide (CID 53082506) is N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide is CCCCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccnc4)no3)c(C)c2c1.
What is the InChIKey of N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide?
The InChIKey is FWNYMCCMJPJDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-4-6-12-26(5-2)31(27,28)17-9-10-19-18(13-17)15(3)20(29-19)22-24-21(25-30-22)16-8-7-11-23-14-16/h7-11,13-14H,4-6,12H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide?
N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide has a molecular weight of 440.53 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 53082506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).