N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide

C23H28N4O5S2 — CID 53042140

IUPACN-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)CC1
InChIInChI=1S/C23H28N4O5S2/c1-14(2)23-25-21(26-32-23)19-13-20(15(3)33-19)34(29,30)27-11-9-16(10-12-27)22(28)24-17-7-5-6-8-18(17)31-4/h5-8,13-14,16H,9-12H2,1-4H3,(H,24,28)
InChIKeyYNGNLFRSNNSFLC-UHFFFAOYSA-N
MW504.63 g/mol
LogP4.28
Rot. Bonds7

About N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide

N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53042140) has the molecular formula C23H28N4O5S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53042140
Molecular FormulaC23H28N4O5S2
Molecular Weight504.63 g/mol
Exact Mass504.15
IUPAC NameN-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)CC1
InChIInChI=1S/C23H28N4O5S2/c1-14(2)23-25-21(26-32-23)19-13-20(15(3)33-19)34(29,30)27-11-9-16(10-12-27)22(28)24-17-7-5-6-8-18(17)31-4/h5-8,13-14,16H,9-12H2,1-4H3,(H,24,28)
InChIKeyYNGNLFRSNNSFLC-UHFFFAOYSA-N
XLogP4.28
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide 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

1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53042186
N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042138
1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 53042083
N-(4-chlorophenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042126
1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53042076
N-(2-methoxy-5-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042033
N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53078597
(3S)-N-(2-ethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075629
(3S)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075625
(3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075643
(4-methylpiperidin-1-yl)-[1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-4-yl]methanone
CID 53007020
(3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075516

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide (CID 53042140) is N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is YNGNLFRSNNSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S2/c1-14(2)23-25-21(26-32-23)19-13-20(15(3)33-19)34(29,30)27-11-9-16(10-12-27)22(28)24-17-7-5-6-8-18(17)31-4/h5-8,13-14,16H,9-12H2,1-4H3,(H,24,28).
What are the key properties of N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 504.63 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53042140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).