(3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide

C23H29N3O4S — CID 92724986

IUPAC(3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C23H29N3O4S/c1-17-22(21(30-25-17)14-13-18-8-3-2-4-9-18)31(28,29)26-15-7-10-19(16-26)23(27)24-20-11-5-6-12-20/h2-4,8-9,13-14,19-20H,5-7,10-12,15-16H2,1H3,(H,24,27)/b14-13+/t19-/m1/s1
InChIKeyKAETZXDPMTUSMI-JKIKYLSZSA-N
MW443.57 g/mol
LogP3.61
Rot. Bonds6

About (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide

(3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide (PubChem CID 92724986) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
PubChem CID92724986
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C23H29N3O4S/c1-17-22(21(30-25-17)14-13-18-8-3-2-4-9-18)31(28,29)26-15-7-10-19(16-26)23(27)24-20-11-5-6-12-20/h2-4,8-9,13-14,19-20H,5-7,10-12,15-16H2,1H3,(H,24,27)/b14-13+/t19-/m1/s1
InChIKeyKAETZXDPMTUSMI-JKIKYLSZSA-N
XLogP3.61
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cycloheptyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 20950566
(3S)-N-benzyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92725019
(3R)-N-cyclopentyl-1-[[5-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92864749
(3R)-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92724998
1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 20950563
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
(3S)-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92724977
N-cycloheptyl-1-[[5-[(E)-2-(3-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 20969749
(3R)-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-phenylpiperidine-3-carboxamide
CID 92887399
(3R)-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-3-carboxamide
CID 92864691
[(3S)-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 92887086
(3S)-N-methyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92708621

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide (CID 92724986) is (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide is Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1.
What is the InChIKey of (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide?
The InChIKey is KAETZXDPMTUSMI-JKIKYLSZSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-22(21(30-25-17)14-13-18-8-3-2-4-9-18)31(28,29)26-15-7-10-19(16-26)23(27)24-20-11-5-6-12-20/h2-4,8-9,13-14,19-20H,5-7,10-12,15-16H2,1H3,(H,24,27)/b14-13+/t19-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide?
(3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92724986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).