1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide

C24H30FN3O7S2 — CID 43874981

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C24H30FN3O7S2/c1-34-22-9-6-20(25)15-23(22)37(32,33)28-10-2-3-19(17-28)24(29)26-16-18-4-7-21(8-5-18)36(30,31)27-11-13-35-14-12-27/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,26,29)
InChIKeyUFKAUDCTKCVEDJ-UHFFFAOYSA-N
MW555.65 g/mol
LogP1.57
Rot. Bonds8

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide

1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43874981) has the molecular formula C24H30FN3O7S2 and a molecular weight of 555.65 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43874981
Molecular FormulaC24H30FN3O7S2
Molecular Weight555.65 g/mol
Exact Mass555.15
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C24H30FN3O7S2/c1-34-22-9-6-20(25)15-23(22)37(32,33)28-10-2-3-19(17-28)24(29)26-16-18-4-7-21(8-5-18)36(30,31)27-11-13-35-14-12-27/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,26,29)
InChIKeyUFKAUDCTKCVEDJ-UHFFFAOYSA-N
XLogP1.57
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.65
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874975
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861835
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861855
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861869
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 28550303
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872836
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861831
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861826
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 28562138
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide (CID 43874981) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide is COc1ccc(F)cc1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UFKAUDCTKCVEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O7S2/c1-34-22-9-6-20(25)15-23(22)37(32,33)28-10-2-3-19(17-28)24(29)26-16-18-4-7-21(8-5-18)36(30,31)27-11-13-35-14-12-27/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,26,29).
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 555.65 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43874981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).