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

C24H27ClN4O4S — CID 92746169

IUPAC(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)c2)no1
InChIInChI=1S/C24H27ClN4O4S/c1-15(2)17-6-9-20(10-7-17)27-24(30)19-5-4-12-29(14-19)34(31,32)22-13-18(8-11-21(22)25)23-26-16(3)33-28-23/h6-11,13,15,19H,4-5,12,14H2,1-3H3,(H,27,30)/t19-/m1/s1
InChIKeyWBJGHGQHGMZWQK-LJQANCHMSA-N
MW503.02 g/mol
LogP4.86
Rot. Bonds6

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

(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 92746169) has the molecular formula C24H27ClN4O4S and a molecular weight of 503.02 g/mol. Its IUPAC name is (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID92746169
Molecular FormulaC24H27ClN4O4S
Molecular Weight503.02 g/mol
Exact Mass502.14
IUPAC Name(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)c2)no1
InChIInChI=1S/C24H27ClN4O4S/c1-15(2)17-6-9-20(10-7-17)27-24(30)19-5-4-12-29(14-19)34(31,32)22-13-18(8-11-21(22)25)23-26-16(3)33-28-23/h6-11,13,15,19H,4-5,12,14H2,1-3H3,(H,27,30)/t19-/m1/s1
InChIKeyWBJGHGQHGMZWQK-LJQANCHMSA-N
XLogP4.86
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.02
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 50808353
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46366060
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 92731250
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 92726834
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-cyclopentylpiperidine-3-carboxamide
CID 92731225
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 92726855
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 92731259
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92731232
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 46288566
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92731247
(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
(3S)-N-(2-chloro-4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 92726854

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-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 92746169) is (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)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-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)c2)no1.
What is the InChIKey of (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is WBJGHGQHGMZWQK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27ClN4O4S/c1-15(2)17-6-9-20(10-7-17)27-24(30)19-5-4-12-29(14-19)34(31,32)22-13-18(8-11-21(22)25)23-26-16(3)33-28-23/h6-11,13,15,19H,4-5,12,14H2,1-3H3,(H,27,30)/t19-/m1/s1.
What are the key properties of (3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 503.02 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 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-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92746169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).