(2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate

C15H19N3O6S — CID 7914274

IUPAC(2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)CC1
InChIInChI=1S/C15H19N3O6S/c1-11(19)17-5-7-18(8-6-17)25(22,23)13-4-2-3-12(9-13)15(21)24-10-14(16)20/h2-4,9H,5-8,10H2,1H3,(H2,16,20)
InChIKeyKXFZDNYEFCALGH-UHFFFAOYSA-N
MW369.40 g/mol
LogP-0.82
Rot. Bonds5

About (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate

(2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate (PubChem CID 7914274) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
PubChem CID7914274
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name(2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)CC1
InChIInChI=1S/C15H19N3O6S/c1-11(19)17-5-7-18(8-6-17)25(22,23)13-4-2-3-12(9-13)15(21)24-10-14(16)20/h2-4,9H,5-8,10H2,1H3,(H2,16,20)
InChIKeyKXFZDNYEFCALGH-UHFFFAOYSA-N
XLogP-0.82
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 7536796
(3,4-dimethylphenyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 9097193
[2-(dimethylamino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7981280
phenacyl 3-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 2908186
2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119346189
[2-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511017
2-methylprop-2-enyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 55355211
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 43014910
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 7536778
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
2-chloroprop-2-enyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 46518940
1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone
CID 45355973

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate (CID 7914274) is (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate?
The InChIKey is KXFZDNYEFCALGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-11(19)17-5-7-18(8-6-17)25(22,23)13-4-2-3-12(9-13)15(21)24-10-14(16)20/h2-4,9H,5-8,10H2,1H3,(H2,16,20).
What are the key properties of (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate?
(2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate has a molecular weight of 369.40 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate is sourced from PubChem (CID 7914274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).