(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone

C18H27N3O4S — CID 110343773

IUPAC(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOC(C)C3)cc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-3-19-8-10-20(11-9-19)18(22)16-4-6-17(7-5-16)26(23,24)21-12-13-25-15(2)14-21/h4-7,15H,3,8-14H2,1-2H3
InChIKeyLEGRKBISTVLGOY-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.87
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone

(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone (PubChem CID 110343773) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
PubChem CID110343773
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOC(C)C3)cc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-3-19-8-10-20(11-9-19)18(22)16-4-6-17(7-5-16)26(23,24)21-12-13-25-15(2)14-21/h4-7,15H,3,8-14H2,1-2H3
InChIKeyLEGRKBISTVLGOY-UHFFFAOYSA-N
XLogP0.87
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850014
4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343753
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950
4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 24692962
N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352403
[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330456

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone (CID 110343773) is (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone is CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOC(C)C3)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone?
The InChIKey is LEGRKBISTVLGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-3-19-8-10-20(11-9-19)18(22)16-4-6-17(7-5-16)26(23,24)21-12-13-25-15(2)14-21/h4-7,15H,3,8-14H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone?
(4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone has a molecular weight of 381.50 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 110343773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).