[4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C23H24N4O5S — CID 55518345

IUPAC[4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H24N4O5S/c28-22(26-11-13-27(14-12-26)23(29)19-5-3-15-32-19)16-7-9-17(10-8-16)24-21-18-4-1-2-6-20(18)33(30,31)25-21/h1-2,4,6-10,19H,3,5,11-15H2,(H,24,25)
InChIKeyUWLLQRUZQAZLRA-UHFFFAOYSA-N
MW468.54 g/mol
LogP1.71
Rot. Bonds3

About [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55518345) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55518345
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name[4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H24N4O5S/c28-22(26-11-13-27(14-12-26)23(29)19-5-3-15-32-19)16-7-9-17(10-8-16)24-21-18-4-1-2-6-20(18)33(30,31)25-21/h1-2,4,6-10,19H,3,5,11-15H2,(H,24,25)
InChIKeyUWLLQRUZQAZLRA-UHFFFAOYSA-N
XLogP1.71
TPSA108.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone
CID 119485568
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 166186204
2-[4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55461466
[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4878720
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954933
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
[(3S)-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92576346
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55518345) is [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is UWLLQRUZQAZLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c28-22(26-11-13-27(14-12-26)23(29)19-5-3-15-32-19)16-7-9-17(10-8-16)24-21-18-4-1-2-6-20(18)33(30,31)25-21/h1-2,4,6-10,19H,3,5,11-15H2,(H,24,25).
What are the key properties of [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 468.54 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55518345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).