2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H27N5O4S — CID 55627385

IUPAC2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C15H27N5O4S/c1-4-5-6-18(3)25(22,23)20-9-7-19(8-10-20)12-15(21)16-14-11-13(2)24-17-14/h11H,4-10,12H2,1-3H3,(H,16,17,21)
InChIKeyRAGJWCHNQJPMEE-UHFFFAOYSA-N
MW373.48 g/mol
LogP0.52
Rot. Bonds8

About 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 55627385) has the molecular formula C15H27N5O4S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID55627385
Molecular FormulaC15H27N5O4S
Molecular Weight373.48 g/mol
Exact Mass373.18
IUPAC Name2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C15H27N5O4S/c1-4-5-6-18(3)25(22,23)20-9-7-19(8-10-20)12-15(21)16-14-11-13(2)24-17-14/h11H,4-10,12H2,1-3H3,(H,16,17,21)
InChIKeyRAGJWCHNQJPMEE-UHFFFAOYSA-N
XLogP0.52
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55627423
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37047635
2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781578
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627407
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111489807
2-[hexyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3404528
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66201612
2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4549592
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465

Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 55627385) is 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1.
What is the InChIKey of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RAGJWCHNQJPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O4S/c1-4-5-6-18(3)25(22,23)20-9-7-19(8-10-20)12-15(21)16-14-11-13(2)24-17-14/h11H,4-10,12H2,1-3H3,(H,16,17,21).
What are the key properties of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 55627385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).