2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C22H27ClFN3O4S — CID 4879517

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H27ClFN3O4S/c1-26(14-17-18(23)7-6-8-19(17)24)15-22(28)25-16-9-10-20(31-2)21(13-16)32(29,30)27-11-4-3-5-12-27/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyUZOLRNQMOWAJQG-UHFFFAOYSA-N
MW483.99 g/mol
LogP3.73
Rot. Bonds8

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4879517) has the molecular formula C22H27ClFN3O4S and a molecular weight of 483.99 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4879517
Molecular FormulaC22H27ClFN3O4S
Molecular Weight483.99 g/mol
Exact Mass483.14
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H27ClFN3O4S/c1-26(14-17-18(23)7-6-8-19(17)24)15-22(28)25-16-9-10-20(31-2)21(13-16)32(29,30)27-11-4-3-5-12-27/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyUZOLRNQMOWAJQG-UHFFFAOYSA-N
XLogP3.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.99
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3968655
4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 4966507
2-[(4-chlorophenyl)methylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;oxalic acid
CID 16244709
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylbutanamide
CID 16246545
2-[N-(4-Chloro-2-methylphenyl)benzenesulfonamido]-N-(4-ethoxyphenyl)acetamide
CID 1260663
N-(3-Chloro-2-methylphenyl)-2-[N-(4-methoxyphenyl)benzenesulfonamido]acetamide
CID 1134581
Cambridge id 5575070
CID 1134627
2-(2-chloro-5-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125200
2-(2-chloro-3-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125238
2-(2-chlorophenyl)-N-(4-phenoxy-3-sulfamoylphenyl)acetamide
CID 124125239
2-(2-chloro-6-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125246
2-(2-chloro-6-fluorophenyl)-N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]acetamide
CID 124125296

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4879517) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is UZOLRNQMOWAJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O4S/c1-26(14-17-18(23)7-6-8-19(17)24)15-22(28)25-16-9-10-20(31-2)21(13-16)32(29,30)27-11-4-3-5-12-27/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 483.99 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4879517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).