1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone

C21H32N4O5S — CID 55346848

IUPAC1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
SMILESO=C(CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H32N4O5S/c26-21(24-10-14-30-15-11-24)17-22-19-16-18(31(27,28)25-6-2-1-3-7-25)4-5-20(19)23-8-12-29-13-9-23/h4-5,16,22H,1-3,6-15,17H2
InChIKeyMZPRDWARNGPYMB-UHFFFAOYSA-N
MW452.58 g/mol
LogP0.97
Rot. Bonds6

About 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone

1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone (PubChem CID 55346848) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
PubChem CID55346848
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC Name1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
SMILESO=C(CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H32N4O5S/c26-21(24-10-14-30-15-11-24)17-22-19-16-18(31(27,28)25-6-2-1-3-7-25)4-5-20(19)23-8-12-29-13-9-23/h4-5,16,22H,1-3,6-15,17H2
InChIKeyMZPRDWARNGPYMB-UHFFFAOYSA-N
XLogP0.97
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)ethanone
CID 55345468
methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
CID 55463879
N-(2,5-difluorophenyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346752
1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
N-(2-methylcyclohexyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346771
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 55345467
N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 112991295
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55605896

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone (CID 55346848) is 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone is O=C(CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone?
The InChIKey is MZPRDWARNGPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c26-21(24-10-14-30-15-11-24)17-22-19-16-18(31(27,28)25-6-2-1-3-7-25)4-5-20(19)23-8-12-29-13-9-23/h4-5,16,22H,1-3,6-15,17H2.
What are the key properties of 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone?
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone has a molecular weight of 452.58 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone is sourced from PubChem (CID 55346848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).