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

C25H29N5O4S — CID 3385432

IUPACN-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)CSc3nnc(C(C)C)o3)cc2)CC1
InChIInChI=1S/C25H29N5O4S/c1-17(2)23-27-28-25(34-23)35-16-22(31)26-18-8-10-19(11-9-18)29-12-14-30(15-13-29)24(32)20-6-4-5-7-21(20)33-3/h4-11,17H,12-16H2,1-3H3,(H,26,31)
InChIKeyYASNUZMJXAIKJT-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.89
Rot. Bonds8

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

N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3385432) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3385432
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)CSc3nnc(C(C)C)o3)cc2)CC1
InChIInChI=1S/C25H29N5O4S/c1-17(2)23-27-28-25(34-23)35-16-22(31)26-18-8-10-19(11-9-18)29-12-14-30(15-13-29)24(32)20-6-4-5-7-21(20)33-3/h4-11,17H,12-16H2,1-3H3,(H,26,31)
InChIKeyYASNUZMJXAIKJT-UHFFFAOYSA-N
XLogP3.89
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5185518
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3978354
N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3889843
N-(4-piperidin-1-ylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3879975
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3572173
N-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4985243
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4556834
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-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5099693
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3941295
N-[4-[4-(2-bromobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4543810
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3559847

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3385432) is N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)CSc3nnc(C(C)C)o3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is YASNUZMJXAIKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-17(2)23-27-28-25(34-23)35-16-22(31)26-18-8-10-19(11-9-18)29-12-14-30(15-13-29)24(32)20-6-4-5-7-21(20)33-3/h4-11,17H,12-16H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 495.61 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3385432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).