N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide

C24H28N4O4S — CID 172898229

IUPACN-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C24H28N4O4S/c1-17(2)21(24-26-22(27-32-24)18-9-5-3-6-10-18)25-23(29)19-11-13-20(14-12-19)33(30,31)28-15-7-4-8-16-28/h3,5-6,9-14,17,21H,4,7-8,15-16H2,1-2H3,(H,25,29)
InChIKeyJRILPVIXXLGXIU-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.04
Rot. Bonds7

About N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 172898229) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID172898229
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C24H28N4O4S/c1-17(2)21(24-26-22(27-32-24)18-9-5-3-6-10-18)25-23(29)19-11-13-20(14-12-19)33(30,31)28-15-7-4-8-16-28/h3,5-6,9-14,17,21H,4,7-8,15-16H2,1-2H3,(H,25,29)
InChIKeyJRILPVIXXLGXIU-UHFFFAOYSA-N
XLogP4.04
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92501919
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
N-[2-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 20934001
N-[(1S)-2-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92501929
1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 95156422
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
3,5-dichloro-4-ethoxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 118984725
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9051085
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174
N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 133189694
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide (CID 172898229) is N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide is CC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is JRILPVIXXLGXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17(2)21(24-26-22(27-32-24)18-9-5-3-6-10-18)25-23(29)19-11-13-20(14-12-19)33(30,31)28-15-7-4-8-16-28/h3,5-6,9-14,17,21H,4,7-8,15-16H2,1-2H3,(H,25,29).
What are the key properties of N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 468.58 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 172898229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).