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

C20H28N4O4S — CID 86974047

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2noc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H28N4O4S/c1-14-8-9-15(12-16(14)29(26,27)24-10-6-5-7-11-24)18(25)21-13-17-22-19(28-23-17)20(2,3)4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,21,25)
InChIKeyGEAXKXRNEMAACB-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.78
Rot. Bonds5

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

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 86974047) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID86974047
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2noc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H28N4O4S/c1-14-8-9-15(12-16(14)29(26,27)24-10-6-5-7-11-24)18(25)21-13-17-22-19(28-23-17)20(2,3)4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,21,25)
InChIKeyGEAXKXRNEMAACB-UHFFFAOYSA-N
XLogP2.78
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56694675
4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17484073
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021031
2-[1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 119217243

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 86974047) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NCc2noc(C(C)(C)C)n2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GEAXKXRNEMAACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-14-8-9-15(12-16(14)29(26,27)24-10-6-5-7-11-24)18(25)21-13-17-22-19(28-23-17)20(2,3)4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,21,25).
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 420.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 86974047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).