(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone

C17H24N2O5S — CID 43058655

IUPAC(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESCCc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O5S/c1-2-14-3-4-15(17(20)18-5-9-23-10-6-18)13-16(14)25(21,22)19-7-11-24-12-8-19/h3-4,13H,2,5-12H2,1H3
InChIKeyBEIVYXRBYSKKNH-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.74
Rot. Bonds4

About (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone

(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone (PubChem CID 43058655) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
PubChem CID43058655
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESCCc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O5S/c1-2-14-3-4-15(17(20)18-5-9-23-10-6-18)13-16(14)25(21,22)19-7-11-24-12-8-19/h3-4,13H,2,5-12H2,1H3
InChIKeyBEIVYXRBYSKKNH-UHFFFAOYSA-N
XLogP0.74
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55578649
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
[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
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55575751
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone (CID 43058655) is (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone is CCc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The InChIKey is BEIVYXRBYSKKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-2-14-3-4-15(17(20)18-5-9-23-10-6-18)13-16(14)25(21,22)19-7-11-24-12-8-19/h3-4,13H,2,5-12H2,1H3.
What are the key properties of (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone has a molecular weight of 368.46 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 43058655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).