N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C20H28N4O4S — CID 8692063

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)CC2)cc1
InChIInChI=1S/C20H28N4O4S/c1-15-5-7-16(8-6-15)29(26,27)24-11-9-23(10-12-24)14-18(25)21-19-13-17(22-28-19)20(2,3)4/h5-8,13H,9-12,14H2,1-4H3,(H,21,25)
InChIKeyORPGEBMYKAGZIO-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.23
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8692063) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8692063
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)CC2)cc1
InChIInChI=1S/C20H28N4O4S/c1-15-5-7-16(8-6-15)29(26,27)24-11-9-23(10-12-24)14-18(25)21-19-13-17(22-28-19)20(2,3)4/h5-8,13H,9-12,14H2,1-4H3,(H,21,25)
InChIKeyORPGEBMYKAGZIO-UHFFFAOYSA-N
XLogP2.23
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16593473
N-(tert-butylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2698072
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62654108
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-one
CID 110709795
methyl 2-methyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]propanoate
CID 55911424
N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692203
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048672
N-(4-acetylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197196
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8692063) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)CC2)cc1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is ORPGEBMYKAGZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-15-5-7-16(8-6-15)29(26,27)24-11-9-23(10-12-24)14-18(25)21-19-13-17(22-28-19)20(2,3)4/h5-8,13H,9-12,14H2,1-4H3,(H,21,25).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8692063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).