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

C25H29N5O4S — CID 3978354

IUPACN-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CSc4nnc(C(C)C)o4)cc3)CC2)cc1
InChIInChI=1S/C25H29N5O4S/c1-17(2)23-27-28-25(34-23)35-16-22(31)26-19-6-8-20(9-7-19)29-12-14-30(15-13-29)24(32)18-4-10-21(33-3)11-5-18/h4-11,17H,12-16H2,1-3H3,(H,26,31)
InChIKeyFJPPLNJOJAXYIT-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.89
Rot. Bonds8

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

N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3978354) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3978354
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CSc4nnc(C(C)C)o4)cc3)CC2)cc1
InChIInChI=1S/C25H29N5O4S/c1-17(2)23-27-28-25(34-23)35-16-22(31)26-19-6-8-20(9-7-19)29-12-14-30(15-13-29)24(32)18-4-10-21(33-3)11-5-18/h4-11,17H,12-16H2,1-3H3,(H,26,31)
InChIKeyFJPPLNJOJAXYIT-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-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3559847
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5099693
N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3385432
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3249670
N-(4-piperidin-1-ylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3879975
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-(2-chlorobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4985243
N-[4-(difluoromethoxy)phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3939395
N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3900700
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3889267
1-(4-methoxyphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3555224
2-[acetyl(propan-2-yl)amino]-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 83279258

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-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-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3978354) is N-[4-[4-(4-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-(4-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-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CSc4nnc(C(C)C)o4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is FJPPLNJOJAXYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-17(2)23-27-28-25(34-23)35-16-22(31)26-19-6-8-20(9-7-19)29-12-14-30(15-13-29)24(32)18-4-10-21(33-3)11-5-18/h4-11,17H,12-16H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[4-[4-(4-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-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3978354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).