1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide

C23H35N3O5S — CID 70680856

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide
SMILESCC[C@@H](C)[C@H](NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)C(=O)N1CCCC1
InChIInChI=1S/C23H35N3O5S/c1-4-17(2)21(23(28)25-13-5-6-14-25)24-22(27)18-8-7-15-26(16-18)32(29,30)20-11-9-19(31-3)10-12-20/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,24,27)/t17-,18?,21+/m1/s1
InChIKeyMYMFPDQOOCHSLJ-WFYHXULLSA-N
MW465.62 g/mol
LogP2.25
Rot. Bonds8

About 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide (PubChem CID 70680856) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide
PubChem CID70680856
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide
SMILESCC[C@@H](C)[C@H](NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)C(=O)N1CCCC1
InChIInChI=1S/C23H35N3O5S/c1-4-17(2)21(23(28)25-13-5-6-14-25)24-22(27)18-8-7-15-26(16-18)32(29,30)20-11-9-19(31-3)10-12-20/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,24,27)/t17-,18?,21+/m1/s1
InChIKeyMYMFPDQOOCHSLJ-WFYHXULLSA-N
XLogP2.25
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46420149
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 55427969
(3S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125057960
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600
(3R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100800595
(3S)-N-[(2S,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 41025315

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide (CID 70680856) is 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide is CC[C@@H](C)[C@H](NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)C(=O)N1CCCC1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide?
The InChIKey is MYMFPDQOOCHSLJ-WFYHXULLSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-4-17(2)21(23(28)25-13-5-6-14-25)24-22(27)18-8-7-15-26(16-18)32(29,30)20-11-9-19(31-3)10-12-20/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,24,27)/t17-,18?,21+/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 70680856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).