N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C27H34N4O2S — CID 89206644

IUPACN-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCN([C@H](C)CN(SCc3ccccc3)c3ccccc3)CC2)on1
InChIInChI=1S/C27H34N4O2S/c1-21-17-26(33-29-21)18-27(32)28-24-13-15-30(16-14-24)22(2)19-31(25-11-7-4-8-12-25)34-20-23-9-5-3-6-10-23/h3-12,17,22,24H,13-16,18-20H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKeyXICJYHOHYMEMFS-JOCHJYFZSA-N
MW478.66 g/mol
LogP4.85
Rot. Bonds10

About N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 89206644) has the molecular formula C27H34N4O2S and a molecular weight of 478.66 g/mol. Its IUPAC name is N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID89206644
Molecular FormulaC27H34N4O2S
Molecular Weight478.66 g/mol
Exact Mass478.24
IUPAC NameN-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCN([C@H](C)CN(SCc3ccccc3)c3ccccc3)CC2)on1
InChIInChI=1S/C27H34N4O2S/c1-21-17-26(33-29-21)18-27(32)28-24-13-15-30(16-14-24)22(2)19-31(25-11-7-4-8-12-25)34-20-23-9-5-3-6-10-23/h3-12,17,22,24H,13-16,18-20H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKeyXICJYHOHYMEMFS-JOCHJYFZSA-N
XLogP4.85
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131897959
N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 96580597
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125176454
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
2-(4-aminophenyl)-N-[1-[(2R)-1-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-fluoroanilino]propan-2-yl]piperidin-4-yl]acetamide
CID 89206677
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 118762980
N-[1-[(2S)-1-(N-benzylsulfonyl-4-carbamimidoylanilino)propan-2-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 25205440
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91768696
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 56813373
N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 87007645

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 89206644) is N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)NC2CCN([C@H](C)CN(SCc3ccccc3)c3ccccc3)CC2)on1.
What is the InChIKey of N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is XICJYHOHYMEMFS-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H34N4O2S/c1-21-17-26(33-29-21)18-27(32)28-24-13-15-30(16-14-24)22(2)19-31(25-11-7-4-8-12-25)34-20-23-9-5-3-6-10-23/h3-12,17,22,24H,13-16,18-20H2,1-2H3,(H,28,32)/t22-/m1/s1.
What are the key properties of N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 478.66 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-1-(N-benzylsulfanylanilino)propan-2-yl]piperidin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 89206644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).