N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide

C19H22N4O3S2 — CID 94466822

IUPACN,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S[C@H](C)c2nc(-c3ccccc3)no2)nc1
InChIInChI=1S/C19H22N4O3S2/c1-4-23(5-2)28(24,25)16-11-12-17(20-13-16)27-14(3)19-21-18(22-26-19)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyPJXKWKLTSWDIFP-CQSZACIVSA-N
MW418.54 g/mol
LogP4.02
Rot. Bonds8

About N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide

N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide (PubChem CID 94466822) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide
PubChem CID94466822
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S[C@H](C)c2nc(-c3ccccc3)no2)nc1
InChIInChI=1S/C19H22N4O3S2/c1-4-23(5-2)28(24,25)16-11-12-17(20-13-16)27-14(3)19-21-18(22-26-19)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyPJXKWKLTSWDIFP-CQSZACIVSA-N
XLogP4.02
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide with MolForge

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Related Compounds

5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
CID 40664198
3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 75852445
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
N,N,1-triethyl-2-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 35169814
N-benzyl-N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50839258
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17078786
6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40664186
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 40664051

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide (CID 94466822) is N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)c2nc(-c3ccccc3)no2)nc1.
What is the InChIKey of N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The InChIKey is PJXKWKLTSWDIFP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-4-23(5-2)28(24,25)16-11-12-17(20-13-16)27-14(3)19-21-18(22-26-19)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide?
N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide has a molecular weight of 418.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 94466822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).