(2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide

C24H35N3O5S — CID 95088645

IUPAC(2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
SMILESCCCCOc1ccc(CNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C24H35N3O5S/c1-5-6-15-31-22-9-7-20(8-10-22)16-25-24(28)17(2)21-11-13-27(14-12-21)33(29,30)23-18(3)26-32-19(23)4/h7-10,17,21H,5-6,11-16H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyICUPVMAPZDMRGR-QGZVFWFLSA-N
MW477.63 g/mol
LogP3.82
Rot. Bonds10

About (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide

(2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide (PubChem CID 95088645) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
PubChem CID95088645
Molecular FormulaC24H35N3O5S
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC Name(2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
SMILESCCCCOc1ccc(CNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C24H35N3O5S/c1-5-6-15-31-22-9-7-20(8-10-22)16-25-24(28)17(2)21-11-13-27(14-12-21)33(29,30)23-18(3)26-32-19(23)4/h7-10,17,21H,5-6,11-16H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyICUPVMAPZDMRGR-QGZVFWFLSA-N
XLogP3.82
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 53118750
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 95088619
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95088604
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide
CID 53118789
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745
(2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
CID 95088526
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
CID 45352012
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55747308
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 53118710
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-propoxyphenyl)piperidine-4-carboxamide
CID 55415209

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide (CID 95088645) is (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide is CCCCOc1ccc(CNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The InChIKey is ICUPVMAPZDMRGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-5-6-15-31-22-9-7-20(8-10-22)16-25-24(28)17(2)21-11-13-27(14-12-21)33(29,30)23-18(3)26-32-19(23)4/h7-10,17,21H,5-6,11-16H2,1-4H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
(2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide has a molecular weight of 477.63 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 95088645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).