(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone

C26H34N2O5S — CID 36608437

IUPAC(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H34N2O5S/c1-20-3-5-21(6-4-20)7-8-22-11-13-27(14-12-22)26(29)23-9-10-24(32-2)25(19-23)34(30,31)28-15-17-33-18-16-28/h3-6,9-10,19,22H,7-8,11-18H2,1-2H3
InChIKeyXWHQMFARXMAUGY-UHFFFAOYSA-N
MW486.63 g/mol
LogP3.51
Rot. Bonds7

About (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone

(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 36608437) has the molecular formula C26H34N2O5S and a molecular weight of 486.63 g/mol. Its IUPAC name is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID36608437
Molecular FormulaC26H34N2O5S
Molecular Weight486.63 g/mol
Exact Mass486.22
IUPAC Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H34N2O5S/c1-20-3-5-21(6-4-20)7-8-22-11-13-27(14-12-22)26(29)23-9-10-24(32-2)25(19-23)34(30,31)28-15-17-33-18-16-28/h3-6,9-10,19,22H,7-8,11-18H2,1-2H3
InChIKeyXWHQMFARXMAUGY-UHFFFAOYSA-N
XLogP3.51
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]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

(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 46669710
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
[1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949051
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 9296611
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032
2-(4-methylphenoxy)ethyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2652455
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 39696938
N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone (CID 36608437) is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is XWHQMFARXMAUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5S/c1-20-3-5-21(6-4-20)7-8-22-11-13-27(14-12-22)26(29)23-9-10-24(32-2)25(19-23)34(30,31)28-15-17-33-18-16-28/h3-6,9-10,19,22H,7-8,11-18H2,1-2H3.
What are the key properties of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone?
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 486.63 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 36608437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).