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

C21H24N4O4S2 — CID 93075420

IUPAC(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1
InChIInChI=1S/C21H24N4O4S2/c1-13-6-8-17(9-7-13)23-21(26)16-5-4-10-25(12-16)31(27,28)19-11-18(30-14(19)2)20-22-15(3)29-24-20/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeySSUQEGKFUKAPIO-MRXNPFEDSA-N
MW460.58 g/mol
LogP3.76
Rot. Bonds5

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

(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 93075420) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID93075420
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1
InChIInChI=1S/C21H24N4O4S2/c1-13-6-8-17(9-7-13)23-21(26)16-5-4-10-25(12-16)31(27,28)19-11-18(30-14(19)2)20-22-15(3)29-24-20/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeySSUQEGKFUKAPIO-MRXNPFEDSA-N
XLogP3.76
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042406
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075433
N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042430
(3R)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075371
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 93075384
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 53042422
(3R)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075328
[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93075348
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007082
(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93068330
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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (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) is (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)cc1.
What is the InChIKey of (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is SSUQEGKFUKAPIO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-13-6-8-17(9-7-13)23-21(26)16-5-4-10-25(12-16)31(27,28)19-11-18(30-14(19)2)20-22-15(3)29-24-20/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide?
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93075420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).