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

C23H28N4O4S2 — CID 93075516

IUPAC(3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)C2)c1
InChIInChI=1S/C23H28N4O4S2/c1-14(2)23-25-21(26-31-23)19-12-20(16(4)32-19)33(29,30)27-10-6-8-17(13-27)22(28)24-18-9-5-7-15(3)11-18/h5,7,9,11-12,14,17H,6,8,10,13H2,1-4H3,(H,24,28)/t17-/m1/s1
InChIKeyYYQBDVWARMSQQH-QGZVFWFLSA-N
MW488.64 g/mol
LogP4.58
Rot. Bonds6

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

(3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 93075516) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is (3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
PubChem CID93075516
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name(3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)C2)c1
InChIInChI=1S/C23H28N4O4S2/c1-14(2)23-25-21(26-31-23)19-12-20(16(4)32-19)33(29,30)27-10-6-8-17(13-27)22(28)24-18-9-5-7-15(3)11-18/h5,7,9,11-12,14,17H,6,8,10,13H2,1-4H3,(H,24,28)/t17-/m1/s1
InChIKeyYYQBDVWARMSQQH-QGZVFWFLSA-N
XLogP4.58
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042473
N-(3-fluorophenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042469
(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
(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-ethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075629
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075433
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 93075420
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 53042530
(4-methylpiperazin-1-yl)-[1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 53007070
(4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 93068367
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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (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) is (3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)C2)c1.
What is the InChIKey of (3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is YYQBDVWARMSQQH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-14(2)23-25-21(26-31-23)19-12-20(16(4)32-19)33(29,30)27-10-6-8-17(13-27)22(28)24-18-9-5-7-15(3)11-18/h5,7,9,11-12,14,17H,6,8,10,13H2,1-4H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
(3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 93075516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).