[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C22H31N3O6S — CID 55578649

IUPAC[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H31N3O6S/c1-2-17-5-6-18(16-20(17)32(28,29)25-11-14-30-15-12-25)21(26)23-7-9-24(10-8-23)22(27)19-4-3-13-31-19/h5-6,16,19H,2-4,7-15H2,1H3
InChIKeyWYHQEDXJGMADPZ-UHFFFAOYSA-N
MW465.57 g/mol
LogP0.73
Rot. Bonds5

About [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55578649) has the molecular formula C22H31N3O6S and a molecular weight of 465.57 g/mol. Its IUPAC name is [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55578649
Molecular FormulaC22H31N3O6S
Molecular Weight465.57 g/mol
Exact Mass465.19
IUPAC Name[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H31N3O6S/c1-2-17-5-6-18(16-20(17)32(28,29)25-11-14-30-15-12-25)21(26)23-7-9-24(10-8-23)22(27)19-4-3-13-31-19/h5-6,16,19H,2-4,7-15H2,1H3
InChIKeyWYHQEDXJGMADPZ-UHFFFAOYSA-N
XLogP0.73
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631558
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649218
3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55575751
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 47027374
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55578649) is [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is CCc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is WYHQEDXJGMADPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S/c1-2-17-5-6-18(16-20(17)32(28,29)25-11-14-30-15-12-25)21(26)23-7-9-24(10-8-23)22(27)19-4-3-13-31-19/h5-6,16,19H,2-4,7-15H2,1H3.
What are the key properties of [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 465.57 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55578649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).