1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone

C26H35N3O4S — CID 110828347

IUPAC1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)CNCC(c3ccccc3)N3CCOCC3)cc2)CC1
InChIInChI=1S/C26H35N3O4S/c1-21-11-13-29(14-12-21)34(31,32)24-9-7-23(8-10-24)26(30)20-27-19-25(22-5-3-2-4-6-22)28-15-17-33-18-16-28/h2-10,21,25,27H,11-20H2,1H3
InChIKeyQCQWEDIHJFFSQE-UHFFFAOYSA-N
MW485.65 g/mol
LogP2.95
Rot. Bonds9

About 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone

1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone (PubChem CID 110828347) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
PubChem CID110828347
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)CNCC(c3ccccc3)N3CCOCC3)cc2)CC1
InChIInChI=1S/C26H35N3O4S/c1-21-11-13-29(14-12-21)34(31,32)24-9-7-23(8-10-24)26(30)20-27-19-25(22-5-3-2-4-6-22)28-15-17-33-18-16-28/h2-10,21,25,27H,11-20H2,1H3
InChIKeyQCQWEDIHJFFSQE-UHFFFAOYSA-N
XLogP2.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone with MolForge

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Related Compounds

2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828071
2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828342
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828503
2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829317
1-(3-fluoro-4-methylphenyl)-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110830524
2-[[2-(2,5-dimethoxyphenyl)-2-piperidin-1-ylethyl]amino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828380
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24633664
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 47068814
N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide
CID 110827935
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828089
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828493

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone?
The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone (CID 110828347) is 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone.
What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone?
The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone is CC1CCN(S(=O)(=O)c2ccc(C(=O)CNCC(c3ccccc3)N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone?
The InChIKey is QCQWEDIHJFFSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-21-11-13-29(14-12-21)34(31,32)24-9-7-23(8-10-24)26(30)20-27-19-25(22-5-3-2-4-6-22)28-15-17-33-18-16-28/h2-10,21,25,27H,11-20H2,1H3.
What are the key properties of 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone?
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone has a molecular weight of 485.65 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone is sourced from PubChem (CID 110828347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).