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

C16H21N5O4S — CID 110395637

IUPACN-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nnc(C)o3)CC2)cc1
InChIInChI=1S/C16H21N5O4S/c1-12(22)17-14-3-5-15(6-4-14)26(23,24)21-9-7-20(8-10-21)11-16-19-18-13(2)25-16/h3-6H,7-11H2,1-2H3,(H,17,22)
InChIKeyHTDWUFQLEHHMEG-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.84
Rot. Bonds5

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

N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 110395637) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID110395637
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC NameN-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nnc(C)o3)CC2)cc1
InChIInChI=1S/C16H21N5O4S/c1-12(22)17-14-3-5-15(6-4-14)26(23,24)21-9-7-20(8-10-21)11-16-19-18-13(2)25-16/h3-6H,7-11H2,1-2H3,(H,17,22)
InChIKeyHTDWUFQLEHHMEG-UHFFFAOYSA-N
XLogP0.84
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 110658400
2-methyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8692277
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
N-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1342008
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 2901483
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110395597
N-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1150482
1-[4-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 78818485
3-methyl-N-[4-[4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]butanamide
CID 53078484
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 110395637) is N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nnc(C)o3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is HTDWUFQLEHHMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-12(22)17-14-3-5-15(6-4-14)26(23,24)21-9-7-20(8-10-21)11-16-19-18-13(2)25-16/h3-6H,7-11H2,1-2H3,(H,17,22).
What are the key properties of N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 110395637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).