N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide

C23H26N4O4S — CID 55884632

IUPACN-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCC(c4nc(C)no4)C3)c2)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-9-11-20(12-10-16)26(3)32(29,30)21-8-4-6-18(14-21)23(28)27-13-5-7-19(15-27)22-24-17(2)25-31-22/h4,6,8-12,14,19H,5,7,13,15H2,1-3H3
InChIKeyVAZOKMAEYVXAJH-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.53
Rot. Bonds5

About N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide

N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 55884632) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID55884632
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCC(c4nc(C)no4)C3)c2)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-9-11-20(12-10-16)26(3)32(29,30)21-8-4-6-18(14-21)23(28)27-13-5-7-19(15-27)22-24-17(2)25-31-22/h4,6,8-12,14,19H,5,7,13,15H2,1-3H3
InChIKeyVAZOKMAEYVXAJH-UHFFFAOYSA-N
XLogP3.53
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 56561398
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60525989
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403
N,N-dimethyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]furan-2-sulfonamide
CID 138993851
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 154833106
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 1456239
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide (CID 55884632) is N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCC(c4nc(C)no4)C3)c2)cc1.
What is the InChIKey of N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is VAZOKMAEYVXAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-16-9-11-20(12-10-16)26(3)32(29,30)21-8-4-6-18(14-21)23(28)27-13-5-7-19(15-27)22-24-17(2)25-31-22/h4,6,8-12,14,19H,5,7,13,15H2,1-3H3.
What are the key properties of N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide?
N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 454.55 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 55884632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).