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

C23H25ClN4O4S — CID 92726835

IUPAC(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)cc1
InChIInChI=1S/C23H25ClN4O4S/c1-15-6-9-19(10-7-15)27(3)23(29)18-5-4-12-28(14-18)33(30,31)21-13-17(8-11-20(21)24)22-25-16(2)32-26-22/h6-11,13,18H,4-5,12,14H2,1-3H3/t18-/m1/s1
InChIKeyBWHQXGDYNLTBSY-GOSISDBHSA-N
MW489.00 g/mol
LogP4.07
Rot. Bonds5

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

(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 92726835) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID92726835
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)cc1
InChIInChI=1S/C23H25ClN4O4S/c1-15-6-9-19(10-7-15)27(3)23(29)18-5-4-12-28(14-18)33(30,31)21-13-17(8-11-20(21)24)22-25-16(2)32-26-22/h6-11,13,18H,4-5,12,14H2,1-3H3/t18-/m1/s1
InChIKeyBWHQXGDYNLTBSY-GOSISDBHSA-N
XLogP4.07
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide (CID 92726835) is (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)cc1.
What is the InChIKey of (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is BWHQXGDYNLTBSY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-15-6-9-19(10-7-15)27(3)23(29)18-5-4-12-28(14-18)33(30,31)21-13-17(8-11-20(21)24)22-25-16(2)32-26-22/h6-11,13,18H,4-5,12,14H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide?
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92726835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).