2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

C25H33N3O7S2 — CID 43875114

IUPAC2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H33N3O7S2/c1-20-17-23(37(32,33)28-13-15-34-16-14-28)9-10-24(20)35-19-25(29)26-18-21-5-7-22(8-6-21)36(30,31)27-11-3-2-4-12-27/h5-10,17H,2-4,11-16,18-19H2,1H3,(H,26,29)
InChIKeyLEUCDLRMOOUJDG-UHFFFAOYSA-N
MW551.69 g/mol
LogP1.89
Rot. Bonds9

About 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43875114) has the molecular formula C25H33N3O7S2 and a molecular weight of 551.69 g/mol. Its IUPAC name is 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID43875114
Molecular FormulaC25H33N3O7S2
Molecular Weight551.69 g/mol
Exact Mass551.18
IUPAC Name2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H33N3O7S2/c1-20-17-23(37(32,33)28-13-15-34-16-14-28)9-10-24(20)35-19-25(29)26-18-21-5-7-22(8-6-21)36(30,31)27-11-3-2-4-12-27/h5-10,17H,2-4,11-16,18-19H2,1H3,(H,26,29)
InChIKeyLEUCDLRMOOUJDG-UHFFFAOYSA-N
XLogP1.89
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.69
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875105
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
N-(2,2-dimethylpropyl)-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 100796537
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7425655
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394275
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861835
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27861911
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (CID 43875114) is 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is LEUCDLRMOOUJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O7S2/c1-20-17-23(37(32,33)28-13-15-34-16-14-28)9-10-24(20)35-19-25(29)26-18-21-5-7-22(8-6-21)36(30,31)27-11-3-2-4-12-27/h5-10,17H,2-4,11-16,18-19H2,1H3,(H,26,29).
What are the key properties of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 551.69 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43875114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).