N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

C24H28N4O2S — CID 86889648

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1ccc(SCCNC(=O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C24H28N4O2S/c1-18-7-9-21(10-8-18)31-16-13-25-22(29)17-28-14-11-20(12-15-28)24-26-23(27-30-24)19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,25,29)
InChIKeyYMTZXJVUQQTLNR-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.13
Rot. Bonds8

About N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 86889648) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
PubChem CID86889648
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1ccc(SCCNC(=O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C24H28N4O2S/c1-18-7-9-21(10-8-18)31-16-13-25-22(29)17-28-14-11-20(12-15-28)24-26-23(27-30-24)19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,25,29)
InChIKeyYMTZXJVUQQTLNR-UHFFFAOYSA-N
XLogP4.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.13
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

N-(2,4-dimethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53152283
N-[2-(4-methylphenyl)sulfanylethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929086
N-(2,4-dimethylphenyl)-2-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152305
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 42760384
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
CID 38146040
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53152362
5-[(3S)-1-[3-(4-methylphenoxy)propyl]pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 95829977
N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152433
N-(2-methylphenyl)-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152298
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 86881982

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (CID 86889648) is N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is Cc1ccc(SCCNC(=O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is YMTZXJVUQQTLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-18-7-9-21(10-8-18)31-16-13-25-22(29)17-28-14-11-20(12-15-28)24-26-23(27-30-24)19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86889648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).