N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C23H25N5O3S — CID 3572173

IUPACN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)o1
InChIInChI=1S/C23H25N5O3S/c1-16-5-3-4-6-20(16)22(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)24-21(29)15-32-23-26-25-17(2)31-23/h3-10H,11-15H2,1-2H3,(H,24,29)
InChIKeyOLFAABGAAQVTRK-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.38
Rot. Bonds6

About N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3572173) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3572173
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)o1
InChIInChI=1S/C23H25N5O3S/c1-16-5-3-4-6-20(16)22(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)24-21(29)15-32-23-26-25-17(2)31-23/h3-10H,11-15H2,1-2H3,(H,24,29)
InChIKeyOLFAABGAAQVTRK-UHFFFAOYSA-N
XLogP3.38
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4556834
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3941295
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3933864
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5185518
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4002129
N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3385432
N-[4-[4-(2-bromobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4543810
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 4587992
N-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4985243
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3431528
N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3889843

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3572173) is N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)o1.
What is the InChIKey of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OLFAABGAAQVTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-16-5-3-4-6-20(16)22(30)28-13-11-27(12-14-28)19-9-7-18(8-10-19)24-21(29)15-32-23-26-25-17(2)31-23/h3-10H,11-15H2,1-2H3,(H,24,29).
What are the key properties of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3572173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).